SCHEMBL2428664

SCHEMBL2428664

CC(O)c1c(Cl)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.50
CYP1A2 P05177 2/20 0.43
UGT2B7 P16662 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
NCEH1 Q6PIU2 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPRT1 P00492 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL23841451 0.84 CYP2A6 (0.54) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL8377379 0.81 CYP2A6 (0.50) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL29946518 0.78 PTPN22 (0.57) CYP1A2ALDH1A1HSD17B10TDP1PTPN22
SCHEMBL5907426 0.78 UGT2B7 (0.42) CYP2A6CYP1A2UGT2B7ALDH1A1TSHR
SCHEMBL11391428 0.78 CYP2A6 (0.56) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL2681076 0.76 GPR84 (0.42) CYP1A2HTTMEN1KMT2AMAPT
SCHEMBL3673586 0.76 CYP2A6 (0.54) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL240650 0.75 UGT2B7 (0.47) CYP2A6CYP1A2UGT2B7ALDH1A1HSD17B10
SCHEMBL7560523 0.75 UGT2B7 (0.47) CYP2A6CYP1A2UGT2B7ALDH1A1HSD17B10
SCHEMBL1317712 0.74 MAPT (0.56) CYP1A2ALDH1A1HSD17B10KDM4EHTT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265616-B1 FURO-AND THIENO[3,2-C]PYRIDINES OSI PHARM INC (US) 2013-11-20 EP disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 US disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 US disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 US disclosed
CN-102007127-A Furo- and thieno [3,2-c] pyridines OSI PHARM INC 2011-04-06 CN disclosed
EP-2265616-A1 FURO-AND THIENO[3,2-C]PYRIDINES OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009100282-A1 FURO-AND THIENO[3,2-C] PYRIDINES OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
CN-101277913-A Method for fractionating stereoisomeric compounds BASF AG (DE) 2008-10-01 CN disclosed
CN-1267560-C Process for preparing stereoisomer carboxylate BASF AG (DE) 2006-08-02 CN disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
CN-1266904-A Process for preparing stereoisomer carboxylate BASF AG (DE) 2000-09-20 CN 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 (3 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-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A CYP2A6 45/4885CYP1A2 65/4885UGT2B7 53/4885
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines RET, MET, ERBB2 CYP2A6 2097/4885CYP1A2 1707/4885UGT2B7 1567/4885
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA CYP2A6 296/4885CYP1A2 453/4885UGT2B7 1944/4885

“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.