SCHEMBL1386289

SCHEMBL1386289

COc1cc(OC)cc(-c2sc(NC(N)=O)c(C(N)=O)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.47
FLT3 P36888 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 4/20 0.43
IKBKB O14920 2/20 0.43
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
GRM6 O15303 2/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AIP O00170 1/20 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
SCHEMBL1385001 0.88 IKBKB (0.56) CHEK1FLT3KMT2AIKBKBMAPT
SCHEMBL1381277 0.87 CHEK1 (0.56) CHEK1FLT3KMT2AIKBKBMAPT
SCHEMBL1382105 0.85 FLT3 (0.48) CHEK1FLT3KMT2AMAPTHSD17B10
SCHEMBL4082002 0.80 FLT3 (0.52) CHEK1FLT3RAB9AKMT2AIKBKB
SCHEMBL4082574 0.78 FLT3 (0.50) CHEK1FLT3RAB9AKMT2AIKBKB
SCHEMBL1382683 0.78 ALDH1A1 (0.53) CHEK1RAB9AKMT2AIKBKBMAPT
SCHEMBL1382766 0.78 KIF11 (0.49) FLT3RAB9AKMT2AIKBKBMAPT
SCHEMBL1383438 0.77 ALDH1A1 (0.47) CHEK1FLT3RAB9AKMT2AIKBKB
SCHEMBL1382924 0.77 ALDH1A1 (0.43) CHEK1FLT3RAB9AKMT2AIKBKB
SCHEMBL1382754 0.77 CHEK1 (0.43) CHEK1FLT3RAB9AKMT2AIKBKB

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-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
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 CHEK1 2784/4885FLT3 191/4885RAB9A 2237/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 CHEK1 3060/4885FLT3 323/4885RAB9A 2154/4885
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 CHEK1 1097/4885FLT3 995/4885RAB9A 4268/4885

“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.