SCHEMBL10163667

SCHEMBL10163667

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.52
HDAC8 Q9BY41 2/20 0.48
CTSS P25774 4/20 0.47
CTSK P43235 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15598266 0.89 CTSK (0.51) HDAC8CTSSCTSKHDAC4HDAC1
SCHEMBL28103795 0.89 CTSK (0.51) HDAC8CTSSCTSKHDAC4HDAC1
SCHEMBL23188882 0.87 HDAC8 (0.59) HDAC8CTSSCTSKHDAC4HDAC1
SCHEMBL8699259 0.87 HDAC8 (0.59) HDAC8CTSSCTSKHDAC4HDAC1
SCHEMBL8699255 0.87 HDAC8 (0.59) HDAC8CTSSCTSKHDAC4HDAC1
SCHEMBL10163665 0.85 RXFP1 (0.55) RXFP1ALDH1A1CYP1A2ALPLALPI
SCHEMBL19255886 0.84 CTSS (0.46) RXFP1HDAC8CTSSCTSKHDAC4
SCHEMBL20702099 0.84 CTSS (0.46) RXFP1HDAC8CTSSCTSKHDAC4
SCHEMBL18188914 0.84 HDAC4 (0.46) HDAC8CTSSCTSKHDAC4HDAC1
SCHEMBL15598267 0.83 KDM4E (0.56) ALDH1A1TP53KDM4ESMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2021-10-28 US disclosed
US-10906907-B2 Tert-butyl (s)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate precursor of a quinazolinone inhibitor of human phosphatidylinositol 3-kinase delta and a process for preparing thereof ICOS CORPORATION (US) 2021-02-02 US disclosed
CN-108239081-B Compound for inhibiting ROCK and application thereof 成都先导药物开发股份有限公司 2020-07-28 CN disclosed
US-10336756-B2 (S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one precursor of a quinazolinone as inhibitor of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-07-02 US disclosed
US-9149477-B2 5-fluoro-3-phenyl-2-[1-(9h-purin-6-ylamino)propyl]-3h-quinazolin-4-one as an inhibitor of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2015-10-06 US disclosed
US-8993583-B2 5-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)propyl]-3H-quinazolin-4-one and 6-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2015-03-31 US disclosed
US-8980901-B2 5-fluoro-3-phenyl-2[1-(9H-purin-6-ylamino)propyl]-3H-quinazolin-4-one and 6-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2015-03-17 US disclosed
US-20140378479-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2014-12-25 US disclosed
US-8779131-B2 6-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)-ethyl]-3H-quinazolin-4-one as an inhibitor of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-07-15 US disclosed
US-20140121224-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2014-05-01 US disclosed
US-8586597-B2 6-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one as an inhibitor of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-11-19 US disclosed
US-RE44599-E1 Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-11-12 US disclosed
US-20130231356-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2013-09-05 US disclosed
US-20130116266-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2013-05-09 US disclosed
US-8207153-B2 Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-06-26 US disclosed
US-20120015964-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-01-19 US disclosed
US-7932260-B2 Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2011-04-26 US disclosed
US-20100256168-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-10-07 US disclosed
US-20100256167-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-10-07 US disclosed
US-20080275067-A1 Quinazolinones as Inhibitors of Human Phosphatidylinositol 3-Kinase Delta ICOS CORPORATION (US) 2008-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140121224-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYOSITOL 3-KINASE DELTA PIK3CD, PIK3CB, PIK3CG RXFP1 4845/4885HDAC8 1863/4885CTSS 1108/4885
US-20100256167-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885HDAC8 1276/4885CTSS 1673/4885
US-20120015964-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885HDAC8 1276/4885CTSS 1673/4885
US-20100256168-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885HDAC8 1276/4885CTSS 1673/4885
US-10336756-B2 (S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one precursor of a quinazolinone as inhibitor of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA RXFP1 4684/4885HDAC8 2546/4885CTSS 1153/4885
US-20140378479-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885HDAC8 1276/4885CTSS 1673/4885
US-20130116266-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PI4KA, PI4KB, PIK3CD RXFP1 4828/4885HDAC8 2056/4885CTSS 1734/4885
US-20130231356-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885HDAC8 1276/4885CTSS 1673/4885
US-20080275067-A1 Quinazolinones as Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885HDAC8 1276/4885CTSS 1673/4885
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885HDAC8 1276/4885CTSS 1673/4885
US-10906907-B2 Tert-butyl (s)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate precursor of a quinazolinone inhibitor of human phosphatidylinositol 3-kinase delta and a process for preparing thereof PIK3CD, PIK3CA, PIK3CB RXFP1 4680/4885HDAC8 2264/4885CTSS 1386/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.