SCHEMBL3320563

SCHEMBL3320563

Brc1cccc(COc2cc[c]cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.69
PARP15 Q460N3 2/20 0.57
PARP10 Q53GL7 2/20 0.57
PARP14 Q460N5 1/20 0.57
MAOA P21397 5/20 0.55
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL13469158 0.84 MAOB (0.82) MAOBPARP15PARP10PARP14MAOA
SCHEMBL7246097 0.84 MAOB (0.46) MAOBPARP15PARP10PARP14MAOA
SCHEMBL4404036 0.82 MAOB (1.00) MAOBPARP15PARP10PARP14MAOA
SCHEMBL16795623 0.80 MAOB (0.65) MAOBPARP15PARP10PARP14MAOA
SCHEMBL23004576 0.79 MAOB (0.69) MAOBPARP15PARP10PARP14MAOA
SCHEMBL863891 0.79 MAOB (0.66) MAOBPARP10MAOAIDO1AGXT
SCHEMBL16795800 0.79 MAOB (0.69) MAOBPARP15PARP10PARP14MAOA
SCHEMBL695070 0.79 MAOB (0.66) MAOBMAOAIDO1AGXT
SCHEMBL22290667 0.79 MAOB (0.69) MAOBPARP15PARP10PARP14MAOA
SCHEMBL8306880 0.79 MAOB (0.71) MAOBPARP15PARP10PARP14MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671825-B Synthesis method of chiral 4H-3, 1-benzoxazine compound containing selenoaryl 安徽泽升科技有限公司 2023-04-28 CN disclosed
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
CN-102712610-A Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2012-10-03 CN disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 US 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-20030220354-A1 Quinazoline ditosylate salt compounds NOVARTIS AG (CH) 2003-11-27 US disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
EP-1294715-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-03-26 EP disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
WO-2002002552-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-01-10 WO 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 (8 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 MAOB 110/4885PARP15 1616/4885PARP10 2078/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 MAOB 945/4885PARP15 689/4885PARP10 1439/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MAOB 617/4885PARP15 2502/4885PARP10 2597/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 MAOB 327/4885PARP15 1591/4885PARP10 1795/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC MAOB 617/4885PARP15 2502/4885PARP10 2597/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MAOB 617/4885PARP15 2502/4885PARP10 2597/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MAOB 617/4885PARP15 2502/4885PARP10 2597/4885
US-20030220354-A1 Quinazoline ditosylate salt compounds ERBB4, ABL1, ERBB2 MAOB 3698/4885PARP15 1731/4885PARP10 1329/4885

“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.