SCHEMBL3324331

SCHEMBL3324331

FC(F)(F)c1ccc[c]c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.42
AR P10275 1/20 0.39
MAOB P27338 3/20 0.38
IDO1 P14902 2/20 0.38
PARP10 Q53GL7 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL27890115 0.84 RXRA (0.44) RXRARXRBRXRGMAOBPARP10
SCHEMBL3322351 0.78 NPC1 (0.41) MRGPRX4MAOBLMNACYP1A2PTGS1
SCHEMBL8115470 0.78 KDM4E (0.38) RXRARXRBRXRGARMAOB
SCHEMBL1190605 0.76 MAPT (0.52) SLC6A2SLC6A3TSHRMAPTL3MBTL1
SCHEMBL15057527 0.75 NR4A2 (0.41) MRGPRX4
SCHEMBL2721267 0.75 HPGD (0.41) RXRARXRBMAOBIDO1PARP10
SCHEMBL11567092 0.75 LMNA (0.47) MAOBPARP10LMNACYP1A2PTGS1
SCHEMBL4544271 0.75 LTA4H (0.38) MAOBIDO1PARP10PTGS2ALDH1A1
SCHEMBL7294363 0.75 L3MBTL1 (0.46) RXRARXRBRXRGMAOBLMNA
SCHEMBL27864149 0.75 MAOB (0.42) MAOBIDO1PARP10LMNACYP1A2

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
US-20080058519-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS LEO OSPREY LIMITED (GB) 2008-03-06 US claimed
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-20090203718-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LTD. (IE) 2009-08-13 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 (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-20090203718-A1 CANCER TREATMENT METHOD IGF1R, EGFR, ERBB2 RXRA 791/4885RXRB 632/4885RXRG 709/4885
US-20080058519-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS ERBB4, ABL1, ERBB2 RXRA 3549/4885RXRB 3771/4885RXRG 3844/4885
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 RXRA 4454/4885RXRB 4339/4885RXRG 4390/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 RXRA 3244/4885RXRB 3316/4885RXRG 2834/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC RXRA 4473/4885RXRB 4238/4885RXRG 4359/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 RXRA 4653/4885RXRB 4588/4885RXRG 4549/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC RXRA 4473/4885RXRB 4238/4885RXRG 4359/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC RXRA 4473/4885RXRB 4238/4885RXRG 4359/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC RXRA 4473/4885RXRB 4238/4885RXRG 4359/4885
US-20030220354-A1 Quinazoline ditosylate salt compounds ERBB4, ABL1, ERBB2 RXRA 3549/4885RXRB 3771/4885RXRG 3844/4885

“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.