SCHEMBL4698700

SCHEMBL4698700

COc1ccsc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
KMT2A Q03164 7/20 0.46
BCAT2 O15382 1/20 0.46
KEAP1 Q14145 1/20 0.46
MEN1 O00255 5/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
FLT3 P36888 1/20 0.43
PKM P14618 1/20 0.42
MAPK8 P45983 1/20 0.41

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
SCHEMBL14342685 0.86 BCAT2 (0.47) IKBKBKMT2ABCAT2MEN1CA1
SCHEMBL27686848 0.83 KMT2A (0.49) KMT2AKEAP1MEN1CYP1A2KDM4E
SCHEMBL7759208 0.82 KMT2A (0.47) KMT2AKEAP1MEN1CYP1A2KDM4E
SCHEMBL834652 0.82 RAB9A (0.50) KMT2AMEN1CA1CA2CYP1A2
SCHEMBL922692 0.80 KMT2A (0.69) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL2937630 0.80 KMT2A (0.46) KMT2AKEAP1MEN1CYP1A2KDM4E
SCHEMBL1379773 0.79 KMT2A (0.68) IKBKBKMT2ABCAT2MEN1PARP10
SCHEMBL22843781 0.79 ALDH1A1 (0.60) KMT2AKEAP1MEN1CA1CA2
SCHEMBL6306700 0.78 KMT2A (0.45) KMT2AKEAP1MEN1CYP1A2KDM4E
SCHEMBL28012573 0.78 BCAT2 (0.57) IKBKBKMT2ABCAT2MEN1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
CN-114634512-B Compounds as inhibitors of bruton's tyrosine kinase, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-11-14 CN disclosed
CN-114634512-A Compound as Bruton's tyrosine kinase inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-17 CN disclosed
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO disclosed
CN-103906738-B For treating new dibasic 3,4-diaminourea-3-cyclobutane-1,2-dione compounds of chemokine mediated disease 高德美研究及发展公司 2016-09-07 CN disclosed
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
US-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-11-12 US disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
EP-1234824-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234826-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234825-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1204643-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-05-15 EP disclosed
EP-1196388-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-04-17 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 US disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 WO disclosed
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP 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-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS PARP2, PARP3, PARP11 IKBKB 476/4885KMT2A 973/4885BCAT2 2295/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL IKBKB 2703/4885KMT2A 4487/4885BCAT2 463/4885

“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.