SCHEMBL10163616

SCHEMBL10163616

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
CTSS P25774 5/20 0.40
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCL2 P10415 2/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL19499812 1.00 CTSK (0.40) CTSKCTSSPPARAPPARGGSTP1
SCHEMBL16133575 0.91 CTSS (0.39) CTSKCTSSPPARAPPARGGSTP1
SCHEMBL18121553 0.88 CTSS (0.38) CTSKCTSSBCL2MCL1
SCHEMBL17892688 0.88 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL17892689 0.88 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL17901699 0.84 TDP1 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL10198745 0.84 CTSK (0.41) CTSKCTSSPPARAPPARGPTPN1
SCHEMBL18188628 0.81 TDP1 (0.39) CTSKCTSSPPARAPPARGGSTP1
SCHEMBL16108783 0.79 TDP1 (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL16583413 0.78 L3MBTL1 (0.48) MEN1KMT2ASMN1; SMN2

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 35 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
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-20190144452-A1 PROCESS FOR PREPARING IDELALISIB SYNTHON B.V. (NL) 2019-05-16 US disclosed
WO-2017191608-A1 NOVEL PROCESS FOR PREPARATION OF IDELALISIB LAURUS LABS LIMITED (IN) 2017-11-09 WO disclosed
WO-2017009333-A1 METHOD FOR PURIFYING IDELALISIB SYNTHON B.V. (NL) 2017-01-19 WO disclosed
EP-1761540-B1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2016-09-28 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-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-20130231356-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2013-09-05 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-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-20100256167-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CTSK 511/4885CTSS 1673/4885PPARA 2859/4885
US-20120015964-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CTSK 511/4885CTSS 1673/4885PPARA 2859/4885
US-20100256168-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CTSK 511/4885CTSS 1673/4885PPARA 2859/4885
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 CTSK 401/4885CTSS 1153/4885PPARA 2167/4885
US-20130116266-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PI4KA, PI4KB, PIK3CD CTSK 380/4885CTSS 1734/4885PPARA 4326/4885
US-20130231356-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CTSK 511/4885CTSS 1673/4885PPARA 2859/4885
US-20080275067-A1 Quinazolinones as Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA CTSK 511/4885CTSS 1673/4885PPARA 2859/4885
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CTSK 511/4885CTSS 1673/4885PPARA 2859/4885
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 CTSK 473/4885CTSS 1386/4885PPARA 1257/4885
US-20190144452-A1 PROCESS FOR PREPARING IDELALISIB IDE, ALK, PIK3C3 CTSK 2110/4885CTSS 2356/4885PPARA 1747/4885
US-20160075705-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CTSK 511/4885CTSS 1673/4885PPARA 2859/4885

“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.