SCHEMBL543809

SCHEMBL543809

Cc1nc(-c2ccccc2)c(N)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.51
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
ALDH1A1 P00352 7/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL2093741 0.79 ALDH1A1 (0.59) NTRK1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL543685 0.79 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL11964988 0.79 ADORA2A (0.48) PTGS1PTGS2CYP3A4ADORA1ADORA2A
SCHEMBL526264 0.78 PTGS2 (0.69) NTRK1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL543631 0.78 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL406295 0.77 ADORA2A (0.47) ALDH1A1LMNASMN1; SMN2ADORA1ADORA2A
SCHEMBL11652829 0.77 ALOX5 (0.54) ALDH1A1MAPTALOX5KDM4ELMNA
SCHEMBL14434137 0.76 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL543712 0.76 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL5153907 0.76 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191445-B1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-12 EP disclosed
US-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 US disclosed
US-20160280702-A1 THIAZOLYL AND OXAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
WO-2014078322-A1 THIAZOLYL AND OXAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 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 (4 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-20160280702-A1 THIAZOLYL AND OXAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, MUSK, CHUK NTRK1 15/4885PTGS1 308/4885PTGS2 878/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 NTRK1 3701/4885PTGS1 3270/4885PTGS2 4287/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 NTRK1 3701/4885PTGS1 3270/4885PTGS2 4287/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP NTRK1 2601/4885PTGS1 2754/4885PTGS2 3256/4885

“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.