SCHEMBL4082574

SCHEMBL4082574

COc1ccc(-c2sc(NC(N)=O)c(C(N)=O)c2C)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.50
CHEK1 O14757 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 3/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4082002 0.88 FLT3 (0.52) FLT3CHEK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1384162 0.87 KDM4E (0.43) FLT3CHEK1SMN1; SMN2ALDH1A1TP53
SCHEMBL1383438 0.81 ALDH1A1 (0.47) FLT3CHEK1SMN1; SMN2ALDH1A1TP53
SCHEMBL1382105 0.81 FLT3 (0.48) FLT3CHEK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1381277 0.81 CHEK1 (0.56) FLT3CHEK1ALDH1A1MAPTKDM4E
SCHEMBL1385001 0.79 IKBKB (0.56) FLT3CHEK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6613252 0.79 TP53 (0.53) SMN1; SMN2ALDH1A1TP53NPSR1MAPT
SCHEMBL1382398 0.78 KIF11 (0.51) FLT3SMN1; SMN2ALDH1A1TP53NPSR1
SCHEMBL1386289 0.78 CHEK1 (0.47) FLT3CHEK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1382766 0.78 KIF11 (0.49) FLT3SMN1; SMN2ALDH1A1TP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US claimed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP claimed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US claimed
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
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 US disclosed
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 WO 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
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 (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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT FLT3 191/4885CHEK1 2784/4885HSD17B1 2315/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 FLT3 323/4885CHEK1 3060/4885HSD17B1 1225/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB FLT3 995/4885CHEK1 1097/4885HSD17B1 3062/4885

“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.