SCHEMBL1383079

SCHEMBL1383079

Cc1cc(-c2sc(NC(N)=O)c(C(N)=O)c2C)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
AIP O00170 1/20 0.38
SGTA O43765 1/20 0.38
TOMM70 O94826 1/20 0.38
STIP1 P31948 1/20 0.38
PPP5C P53041 1/20 0.38
FKBP4 Q02790 1/20 0.38
PPID Q08752 1/20 0.38
FKBP5 Q13451 1/20 0.38
FKBP8 Q14318 1/20 0.38
TOMM34 Q15785 1/20 0.38
DNAJC7 Q99615 1/20 0.38
AIPL1 Q9NZN9 1/20 0.38
STUB1 Q9UNE7 1/20 0.38
RAB9A P51151 7/20 0.38
ALDH1A1 P00352 7/20 0.38
NPC1 O15118 6/20 0.38
MAPT P10636 5/20 0.38
IKBKB O14920 4/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL4086271 0.76 ALDH1A1 (0.49) KMT2ARAB9AALDH1A1NPC1MAPT
SCHEMBL1381794 0.74 KMT2A (0.40) KMT2AAIPSGTATOMM70STIP1
SCHEMBL4092649 0.73 IKBKB (0.44) KMT2AAIPSGTATOMM70STIP1
SCHEMBL1382766 0.72 KIF11 (0.49) KMT2AAIPSGTATOMM70STIP1
SCHEMBL1382683 0.72 ALDH1A1 (0.53) KMT2ARAB9AALDH1A1NPC1MAPT
SCHEMBL1382105 0.72 FLT3 (0.48) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL1383438 0.71 ALDH1A1 (0.47) KMT2AAIPSGTATOMM70STIP1
SCHEMBL1382924 0.71 ALDH1A1 (0.43) KMT2AAIPSGTATOMM70STIP1
SCHEMBL1386289 0.71 CHEK1 (0.47) KMT2AAIPSGTATOMM70STIP1
SCHEMBL1928166 0.70 ALDH1A1 (0.51) KMT2ARAB9AALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4812999-B2 2011-11-09 JP claimed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 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
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP claimed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US claimed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO 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 KMT2A 1270/4885AIP 3369/4885SGTA 2959/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 KMT2A 864/4885AIP 3428/4885SGTA 3430/4885
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 KMT2A 2376/4885AIP 297/4885SGTA 2414/4885

“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.