SCHEMBL7723710

SCHEMBL7723710

CC(C#N)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.54
CTSS P25774 4/20 0.54
CTSB P07858 4/20 0.54
CTSK P43235 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC1A2 P43004 1/20 0.46

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
SCHEMBL30827957 1.00 CTSL (0.54) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL1876560 0.86 MMP2 (0.52) SMN1; SMN2ALDH1A1HPGDLMNAHTT
SCHEMBL1876558 0.86 MMP2 (0.52) SMN1; SMN2ALDH1A1HPGDLMNAHTT
SCHEMBL948159 0.83 ALDH1A1 (0.51) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL7056329 0.83 ALDH1A1 (0.51) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL2685872 0.82 MAOA (0.53) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL11649280 0.82 NPC1 (0.46) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL16089595 0.81 ALDH1A1 (0.50) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL6021199 0.81 CTSL (0.72) CTSLCTSSCTSBCTSK
SCHEMBL6020267 0.81 CTSL (0.54) CTSLCTSSCTSBCTSKALDH1A1

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
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed
US-9833431-B2 Pharmaceutical combinations for the treatment of cancer PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2017-12-05 US disclosed
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
WO-2014078378-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-6392049-B1 NITRATION USING NITRIC ACID AVENTIS PHARMACEUTICALS INC. 2002-05-21 US disclosed
US-6307054-B1 HEATING A 5-CARBOXY-2,4-DIHYROXYPYRIDINE AND PHOSPHORIC ACID WHERE THE RATIO OF PHOSPHORIC ACID TO WATER IS NOT LESS THAN ABOUT 27 TO 1 WEIGHT %. AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-10-23 US disclosed
US-4792565-A Pyrazolecarbonylamine derivatives and agricultural and horticultural fungicides containing said compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1988-12-20 US disclosed
US-3954756-A Method for producing pyrimidine TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-05-04 US 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 (1 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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP CTSL 2205/4885CTSS 1027/4885CTSB 1295/4885

“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.