SCHEMBL3321902

SCHEMBL3321902

Nc1ccc2c(cnn2Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
RECQL P46063 1/20 0.43
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42
IKBKE Q14164 1/20 0.42
MAPK14 Q16539 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
ERBB2 P04626 12/20 0.41
EGFR P00533 11/20 0.41
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL3319948 0.88 ERBB2 (0.50) HTR2AHTR2CRECQLCHEK1AURKA
SCHEMBL30729935 0.87 EGFR (0.53) RECQLERBB2EGFREPHX2PPARG
SCHEMBL215702 0.87 EGFR (0.53) RECQLERBB2EGFREPHX2PPARG
Hydrochloric Acid SCHEMBL1353996 0.86 EGFR (0.52) ERBB2EGFREPHX2PPARG
SCHEMBL29992643 0.82 RECQL (0.66) RECQLCHEK1AURKADAPK3CSNK1A1
SCHEMBL870390 0.82 RECQL (0.66) RECQLCHEK1AURKADAPK3CSNK1A1
SCHEMBL3375418 0.82 GRIN1 (0.49) HTR2AHTR2CRECQLCHEK1AURKA
SCHEMBL3324092 0.81 KDM4E (0.49) HTR2AHTR2CRECQLCHEK1AURKA
SCHEMBL31661539 0.81 KDM4E (0.49) HTR2AHTR2CRECQLCHEK1AURKA
SCHEMBL25414085 0.78 EPHX2 (0.49) HTR2AHTR2CRECQLGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 US disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20070238875-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-10-11 US disclosed
US-20070015775-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-01-18 US disclosed
US-6713485-B2 ANTIPROLIFERATIVE AGENTS; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM CORPORATION 2004-03-30 US disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
EP-1304110-A2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2003-04-23 EP disclosed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
US-6174889-B1 PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION GLAXO WELLCOME INC. 2001-01-16 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (10 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-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 HTR2A 541/4885HTR2C 143/4885RECQL 336/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 HTR2A 704/4885HTR2C 249/4885RECQL 3159/4885
US-20070015775-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 HTR2A 1131/4885HTR2C 855/4885RECQL 506/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC HTR2A 1680/4885HTR2C 792/4885RECQL 3036/4885
US-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK HTR2A 1660/4885HTR2C 608/4885RECQL 870/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 HTR2A 1892/4885HTR2C 1265/4885RECQL 1869/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC HTR2A 1680/4885HTR2C 792/4885RECQL 3036/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC HTR2A 1680/4885HTR2C 792/4885RECQL 3036/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC HTR2A 1680/4885HTR2C 792/4885RECQL 3036/4885
US-20070238875-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 HTR2A 1131/4885HTR2C 855/4885RECQL 506/4885

“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.