SCHEMBL1680689

SCHEMBL1680689

NC(=O)Nc1sccc1C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.73
MAPK8 P45983 11/20 0.65
MAPK10 P53779 5/20 0.65
HTT P42858 1/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL1726430 0.88 PTK2 (0.59) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL5550829 0.86 PTPN2 (0.68) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL11946878 0.86 PTK2 (0.71) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL13270043 0.86 PTK2 (0.71) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL23323409 0.85 PTK2 (0.69) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL5092793 0.85 PTK2 (1.00) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL6611048 0.84 PTK2 (0.55) PTK2MAPK8MAPK10HTTKMT2A
SCHEMBL4357584 0.83 PTPN2 (0.74) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL7056886 0.82 PTK2 (0.70) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL4066836 0.82 KMT2A (0.67) PTK2MAPK8MAPK10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN claimed
CN-1541214-A Novel compounds 2004-10-27 CN claimed
WO-2012046793-A1 NOVEL JAK3 INHIBITOR CONTAINING, AS ACTIVE INGREDIENT, THIOPHENE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS 参天製薬株式会社 (JP) 2012-04-12 WO disclosed
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
CN-1538968-A Novel compounds 2004-10-20 CN disclosed
EP-1421079-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
CN-1425012-A Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2003-06-18 CN disclosed
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed
WO-2003010163-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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 (4 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT PTK2 4493/4885MAPK8 4329/4885MAPK10 4252/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 PTK2 4427/4885MAPK8 4344/4885MAPK10 4171/4885
US-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 PTK2 4703/4885MAPK8 4539/4885MAPK10 3958/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 PTK2 4703/4885MAPK8 4539/4885MAPK10 3958/4885

“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.