SCHEMBL4092649

SCHEMBL4092649

Cc1c(-c2ccncc2)sc(NC(N)=O)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.44
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
TBK1 Q9UHD2 2/20 0.42
IKBKE Q14164 1/20 0.42
KDM4E B2RXH2 5/20 0.41
LMNA P02545 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK1 P28482 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL1382683 0.86 ALDH1A1 (0.53) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1382766 0.86 KIF11 (0.49) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1383438 0.84 ALDH1A1 (0.47) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1382924 0.84 ALDH1A1 (0.43) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1384699 0.83 ALDH1A1 (0.53) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1928166 0.83 ALDH1A1 (0.51) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1382259 0.82 ALDH1A1 (0.40) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1382398 0.81 KIF11 (0.51) IKBKBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL1381277 0.81 CHEK1 (0.56) IKBKBALDH1A1HPGDMAPTKMT2A
SCHEMBL27502227 0.81 IKBKB (0.47) IKBKBALDH1A1RAB9AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1243747-C Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2006-03-01 CN 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
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 (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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT IKBKB 3065/4885ALDH1A1 165/4885RAB9A 2237/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 IKBKB 2413/4885ALDH1A1 35/4885RAB9A 2154/4885

“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.