SCHEMBL1628531

SCHEMBL1628531

O=C(O)c1cncc2ccsc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.37
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GPR35 Q9HC97 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPRB P23467 1/20 0.36
PTPN6 P29350 1/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
DAO P14920 1/20 0.36
FEN1 P39748 1/20 0.36
KDM4E B2RXH2 4/20 0.35
KDM4C Q9H3R0 3/20 0.35
KDM6B O15054 2/20 0.35

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
SCHEMBL3597257 0.84 MEN1 (0.44) MEN1MAPTKMT2ATDP1KDM4E
Acetic Acid SCHEMBL3613035 0.82 PTK2 (0.41) SPRMEN1MAPTKMT2ATDP1
SCHEMBL31128918 0.80 ADORA2B (0.40) MEN1MAPTKMT2APOLBKDM4E
SCHEMBL27739316 0.80 KDM4E (0.41) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL27739264 0.76 TSHR (0.45) MEN1MAPTKMT2APOLBRECQL
SCHEMBL5796937 0.74 GAA (0.33) POLBGAA
SCHEMBL1476003 0.73 CYP2A6 (0.48) NR4A1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL3615811 0.73 RPS6KA5 (0.39) MAPTPOLBCYP1A2CHEK1
SCHEMBL4805351 0.72 KDM4E (0.31) FEN1KDM4EGAA
SCHEMBL3617177 0.71 KDM4E (0.38) KMT2APOLBKDM4EGAACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
CN-103087078-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB 2013-05-08 CN disclosed
CN-101500562-B Thieno[3,2-C]pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE 2012-01-25 CN disclosed
CN-101479278-B Novel 4-amino-3- (pyrrolyl-phenoxymethyl) -thieno [3,2] pyridine-7-carboxylic acid derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-07 CN disclosed
CN-102149688-A Novel Benzimidazole Derivatives HOFFMANN LA ROCHE 2011-08-10 CN disclosed
US-7994321-B2 Substituted thieno[3,2-C]pyridine-7-carboxylic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US disclosed
US-7932390-B2 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2011-04-26 US disclosed
EP-2038288-B1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
CN-101500562-A Thieno[3,2-c]pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
CN-101479278-A Novel 4-amino-3- (pyrrolyl-phenoxymethyl) -thieno [3,2] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
EP-2038288-A1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives CHEN YI 2008-01-10 US disclosed
WO-2008000697-A1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENO[3,2]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
CN-1856498-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB (US) 2006-11-01 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 (2 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-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SPR 3242/4885XDH 271/4885SLC22A12 4576/4885
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives UQCRB, UQCRC2, AURKB SPR 1976/4885XDH 532/4885SLC22A12 1899/4885

“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.