SCHEMBL3320586

SCHEMBL3320586

Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 1.00
NR4A2 P43354 2/20 0.66
FFAR1 O14842 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
IDO1 P14902 2/20 0.61
MAPT P10636 3/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.57
MAOA P21397 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.55

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
SCHEMBL31172140 0.86 MAOB (0.76) MAOBNR4A2IDO1MAPTPOLB
SCHEMBL4640143 0.86 MAOB (0.76) MAOBNR4A2IDO1MAPTPOLB
SCHEMBL5669711 0.85 MAOB (0.74) MAOBNR4A2FFAR1FFAR4IDO1
SCHEMBL5087361 0.85 MAOB (0.74) MAOBNR4A2FFAR1FFAR4IDO1
SCHEMBL23350560 0.84 MAOB (0.73) MAOBNR4A2FFAR1FFAR4IDO1
SCHEMBL23266152 0.83 MAOB (0.71) MAOBNR4A2FFAR1FFAR4IDO1
SCHEMBL13258589 0.82 MAOB (0.70) MAOBNR4A2FFAR1FFAR4IDO1
SCHEMBL11214112 0.81 MAOB (0.71) MAOBNR4A2FFAR1FFAR4IDO1
SCHEMBL11214114 0.81 MAOB (0.71) MAOBNR4A2FFAR1FFAR4IDO1
SCHEMBL3321627 0.81 MAOB (0.68) MAOBNR4A2FFAR1FFAR4IDO1

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 21 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-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
CN-1134438-C Bicyclic heteroaromatic compounds, preparation method and use thereof �ձ���ҩ��ʽ���� 2004-01-14 CN 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
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 CN 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 MAOB 110/4885NR4A2 2112/4885FFAR1 3051/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 MAOB 945/4885NR4A2 1266/4885FFAR1 4068/4885
US-20050130996-A1 Heterocyclic compounds CCNH, SDHA, CYP1A2 MAOB 32/4885NR4A2 1181/4885FFAR1 3708/4885
US-20070015775-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 MAOB 32/4885NR4A2 1181/4885FFAR1 3708/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MAOB 617/4885NR4A2 2398/4885FFAR1 2256/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 MAOB 327/4885NR4A2 1824/4885FFAR1 2635/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC MAOB 617/4885NR4A2 2398/4885FFAR1 2256/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MAOB 617/4885NR4A2 2398/4885FFAR1 2256/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MAOB 617/4885NR4A2 2398/4885FFAR1 2256/4885
US-20070238875-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 MAOB 32/4885NR4A2 1181/4885FFAR1 3708/4885

“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.