SCHEMBL3322342

SCHEMBL3322342

COc1cc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2cc1-c1ccc(CN)o1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.59
ERBB2 P04626 10/20 0.59
ERBB4 Q15303 3/20 0.57
CHEK2 O96017 1/20 0.52
ROS1 P08922 1/20 0.52
FLT3 P36888 1/20 0.52
AURKB Q96GD4 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
RIPK2 O43353 1/20 0.52
EPHB2 P29323 1/20 0.52
RET P07949 1/20 0.50
KDR P35968 1/20 0.50
LCK P06239 2/20 0.49

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
SCHEMBL3320544 0.88 ERBB2 (0.60) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL3318464 0.85 EGFR (0.58) EGFRERBB2ERBB4CHEK2ROS1
Hydrochloric Acid SCHEMBL3320844 0.85 EGFR (0.58) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL3322180 0.85 EGFR (0.57) EGFRERBB2ERBB4AURKBRIPK2
SCHEMBL2102039 0.85 ERBB2 (0.77) EGFRERBB2ERBB4AURKBRIPK2
SCHEMBL3320672 0.84 ERBB2 (0.70) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL30141491 0.82 EGFR (0.78) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL242224 0.82 EGFR (0.78) EGFRERBB2ERBB4CHEK2ROS1
Hydrochloric Acid SCHEMBL8809813 0.81 EGFR (0.76) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL3321616 0.81 ERBB2 (0.73) EGFRERBB2ERBB4

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 19 patents. 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-7109333-B2 Heterocyclic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20050130996-A1 Heterocyclic compounds NOVARTIS AG (CH) 2005-06-16 US disclosed
EP-1454907-A1 Quninazoline and pyridopyrmidine derivatives Glaxo Group Limited (GB) 2004-09-08 EP disclosed
US-6727256-B1 4-AMINOQUINAZOLINE DERIVATIVES AS ANTICARCINOGENIC AGENTS SMITHKLINE BEECHAM CORPORATION 2004-04-27 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
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 EP disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 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 EGFR 3409/4885ERBB2 2282/4885ERBB4 3155/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885ERBB4 3/4885
US-20050130996-A1 Heterocyclic compounds CCNH, SDHA, CYP1A2 EGFR 3748/4885ERBB2 3150/4885ERBB4 4053/4885
US-20070015775-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 EGFR 3748/4885ERBB2 3150/4885ERBB4 4053/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885ERBB4 17/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 EGFR 69/4885ERBB2 2/4885ERBB4 39/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885ERBB4 17/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885ERBB4 17/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885ERBB4 17/4885
US-20070238875-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 EGFR 3748/4885ERBB2 3150/4885ERBB4 4053/4885

“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.