SCHEMBL358104

SCHEMBL358104

Cc1cccc([N+](=O)[O-])c1C(=O)Nc1c(F)cccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KCNMA1 Q12791 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
RORC P51449 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL5233088 0.86 KCNMA1 (0.62) TDP1L3MBTL1KCNMA1SMN1; SMN2LMNA
SCHEMBL16583563 0.80 TDP1 (0.60) TDP1L3MBTL1KCNMA1SMN1; SMN2LMNA
SCHEMBL16583251 0.80 TDP1 (0.65) TDP1L3MBTL1KCNMA1SMN1; SMN2LMNA
SCHEMBL792691 0.80 LMNA (0.45) TDP1L3MBTL1KCNMA1SMN1; SMN2LMNA
SCHEMBL5233828 0.78 KCNMA1 (0.47) TDP1L3MBTL1KCNMA1SMN1; SMN2LMNA
SCHEMBL2034927 0.78 TDP1 (0.49) TDP1L3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL5237413 0.77 ALDH1A1 (0.53) TDP1KCNMA1SMN1; SMN2LMNACRHBP
SCHEMBL4725431 0.76 TDP1 (0.46) TDP1L3MBTL1KCNMA1SMN1; SMN2LMNA
SCHEMBL4725420 0.76 TDP1 (0.46) TDP1L3MBTL1KCNMA1SMN1; SMN2LMNA
SCHEMBL5234546 0.76 KCNMA1 (0.44) KCNMA1SMN1; SMN2LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943494-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2022-01-26 EP disclosed
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2021-10-28 US disclosed
EP-3153514-B1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2021-04-21 EP 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
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
EP-3153514-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2017-04-12 EP disclosed
EP-1761540-B1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2016-09-28 EP disclosed
EP-2612862-B1 Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORP (US) 2016-09-14 EP disclosed
US-20160075705-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2016-03-17 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-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
CN-102229609-A Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORP 2011-11-02 CN 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
CN-101031569-A Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors ICOS CORP (US) 2007-09-05 CN disclosed
WO-2005113554-A2 METHOD OF PREPARING 3-PHENYL-2-[9H-PURIN-6-YLAMINO)-METHYL]-3H-QUINAZOLIN-4-ONE AND SUBSTITUTED AND RELATED COMPOUNDS ICOS CORPORATION (US) 2005-12-01 WO 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 (9 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-20100256167-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA TDP1 1449/4885L3MBTL1 2857/4885KCNMA1 1544/4885
US-20120015964-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA TDP1 1449/4885L3MBTL1 2857/4885KCNMA1 1544/4885
US-20100256168-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA TDP1 1449/4885L3MBTL1 2857/4885KCNMA1 1544/4885
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 TDP1 1242/4885L3MBTL1 3958/4885KCNMA1 1404/4885
US-20130116266-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PI4KA, PI4KB, PIK3CD TDP1 840/4885L3MBTL1 1333/4885KCNMA1 951/4885
US-20080275067-A1 Quinazolinones as Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA TDP1 1449/4885L3MBTL1 2857/4885KCNMA1 1544/4885
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA TDP1 1449/4885L3MBTL1 2857/4885KCNMA1 1544/4885
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 TDP1 619/4885L3MBTL1 3859/4885KCNMA1 1032/4885
US-20160075705-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA TDP1 1449/4885L3MBTL1 2857/4885KCNMA1 1544/4885

“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.