SCHEMBL2657481

SCHEMBL2657481

N#CSc1ccc(N)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
POLB P06746 1/20 0.56
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
MAOA P21397 8/20 0.39
MAOB P27338 8/20 0.39
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL10801420 0.81 ALDH1A1 (0.61) MAPTALDH1A1POLBCA2CA5A
SCHEMBL6831166 0.80 MAPT (0.40) MAPTALDH1A1POLBMAOAMAOB
SCHEMBL7979164 0.76 ALDH1A1 (0.56) MAPTALDH1A1POLBCA2CA5A
SCHEMBL10414946 0.76 ALDH1A1 (0.56) MAPTALDH1A1POLBCA2CA5A
SCHEMBL10414211 0.76 ALDH1A1 (0.56) MAPTALDH1A1POLBCA2CA5A
SCHEMBL693345 0.76 ALDH1A1 (0.56) MAPTALDH1A1POLBCA2CA5A
SCHEMBL6828399 0.76 MAOB (0.42) MAPTALDH1A1POLBCA2CA5A
SCHEMBL2656052 0.76 AR (0.57) MAPTALDH1A1POLBMAOAMAOB
SCHEMBL15716156 0.76 MAOB (0.46) MAPTALDH1A1POLBMAOAMAOB
SCHEMBL20565736 0.74 MAOA (0.72) MAPTALDH1A1MAOAMAOBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 US disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
CN-1349381-A Sulfonamide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 CN disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 EP disclosed
US-5102994-A Monoazo dyes; colorfastness, for polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0423563-A1 Azodyestuffs BAYER AG (DE) 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 (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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK MAPT 4750/4885ALDH1A1 2440/4885POLB 3769/4885
US-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 MAPT 4869/4885ALDH1A1 453/4885POLB 3871/4885
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK MAPT 656/4885ALDH1A1 2649/4885POLB 2133/4885

“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.