SCHEMBL4159583

SCHEMBL4159583

Cc1cnc(-c2cc(C(=O)NC3CC3)cc(-c3ccnn3C(C)C)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.46
P2RX2 Q9UBL9 3/20 0.46
WDR5 P61964 2/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
CYP2C9 P11712 5/20 0.40
MAPK14 Q16539 5/20 0.40
TTK P33981 3/20 0.40
MAPK11 Q15759 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39
MAPK13 O15264 1/20 0.39
NR3C2 P08235 1/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL4149321 0.83 P2RX3 (0.48) P2RX3P2RX2WDR5
SCHEMBL4167937 0.81 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL4158844 0.80 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL4167911 0.80 P2RX3 (0.49) P2RX3P2RX2CYP2C9MAPK14TTK
SCHEMBL4158727 0.74 P2RX3 (0.56) P2RX3P2RX2WDR5TTK
SCHEMBL11990760 0.74 P2RX3 (0.43) P2RX3P2RX2BMPR1BBMPR1ATGFBR1
SCHEMBL4144071 0.73 P2RX3 (0.58) P2RX3P2RX2CYP2C9MAPK14TTK
SCHEMBL4159669 0.72 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL4160270 0.71 P2RX3 (0.53) P2RX3P2RX2CYP2C9SMYD3NR3C2
SCHEMBL4328964 0.71 MAPK13 (0.43) P2RX3P2RX2CYP2C9MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US claimed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 US disclosed
CN-101903348-B Pyrazole-substituted arylamides HOFFMANN LA ROCHE 2013-08-14 CN disclosed
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
EP-2234976-B1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
CN-101903348-A Novel pyrazole-substituted arylamides HOFFMANN LA ROCHE 2010-12-01 CN disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 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 (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-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885WDR5 1476/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885WDR5 1476/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885WDR5 1476/4885

“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.