SCHEMBL7280833

SCHEMBL7280833

O=c1[nH]c(-c2cccnc2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 1.00
MAPT P10636 4/20 0.78
KDM4C Q9H3R0 2/20 0.78
TNKS O95271 7/20 0.73
TNKS2 Q9H2K2 7/20 0.73
PARP1 P09874 4/20 0.73
ALDH1A1 P00352 4/20 0.70
ALOX15 P16050 1/20 0.70
HSD17B10 Q99714 1/20 0.70
APOBEC3G Q9HC16 1/20 0.70
KDM4E B2RXH2 3/20 0.63
LDHA P00338 1/20 0.63
EPHX2 P34913 1/20 0.63
GAA P10253 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
GUSB P08236 3/20 0.60
PARP2 Q9UGN5 2/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1B1 Q16678 1/20 0.60
NPC1 O15118 3/20 0.59

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
Hydrochloric Acid SCHEMBL28547770 0.98 HPGD (0.97) HPGDMAPTKDM4CTNKSTNKS2
SCHEMBL30527145 0.88 KDM4C (1.00) HPGDMAPTKDM4CTNKSTNKS2
SCHEMBL20320595 0.88 KDM4C (1.00) HPGDMAPTKDM4CTNKSTNKS2
Hydrochloric Acid SCHEMBL30002977 0.87 KDM4C (0.97) HPGDMAPTKDM4CTNKSTNKS2
Hydrochloric Acid SCHEMBL20303157 0.87 KDM4C (0.97) HPGDMAPTKDM4CTNKSTNKS2
SCHEMBL258433 0.85 TNKS (1.00) HPGDMAPTKDM4CTNKSTNKS2
SCHEMBL29592833 0.85 TNKS (1.00) HPGDMAPTKDM4CTNKSTNKS2
Hydrochloric Acid SCHEMBL31529601 0.84 TNKS (0.96) HPGDMAPTKDM4CTNKSTNKS2
SCHEMBL15966811 0.83 HPGD (0.71) HPGDMAPTKDM4CTNKSTNKS2
SCHEMBL14344501 0.83 KDM4C (1.00) HPGDMAPTKDM4CTNKSTNKS2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2941426-A1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Calistoga LLC (US) 2015-11-11 EP claimed
WO-2014100765-A1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 WO claimed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO claimed
CN-112566906-A Substituted quinazolinone derivatives and their use as positive allosteric modulators of MGLUR4 多曼治疗学公司 2021-03-26 CN disclosed
WO-2014128206-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
EP-2769723-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
CN-103408502-A Synthetic method of quinazolinone compounds UNIV HUNAN 2013-11-27 CN disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
EP-0934934-A3 Methods of preparing substituted 3-phenyl- and 3-pyridyl-4(3H)-quinazolinones and atropisomers thereof Pfizer Products Inc. (US) 1999-10-13 EP disclosed
EP-0934934-A2 Methods of preparing substituted 3-phenyl- and 3-pyridyl-4(3H)-quinazolinones and atropisomers thereof Pfizer Products Inc. (US) 1999-08-11 EP disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP 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 (2 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-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 HPGD 4795/4885MAPT 3823/4885KDM4C 1357/4885
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 HPGD 641/4885MAPT 3912/4885KDM4C 833/4885

“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.