SCHEMBL4148064

SCHEMBL4148064

CCCn1nccc1-c1cc(C(=O)NC2CC2)cc(-c2ccc(Cl)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.44
EPHX2 P34913 1/20 0.43
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
NR3C2 P08235 1/20 0.41
ADORA1 P30542 3/20 0.41
PDE4B Q07343 3/20 0.41
ITGA5 P08648 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
CNR1 P21554 2/20 0.40
P2RX7 Q99572 2/20 0.39
CNR2 P34972 1/20 0.39
HPGDS O60760 1/20 0.39
TTK P33981 1/20 0.39
MAPK14 Q16539 1/20 0.39
PIK3CD O00329 1/20 0.38
CRHR1 P34998 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL4156525 0.93 PDE4B (0.46) GABRA5EPHX2P2RX3P2RX2ADORA1
SCHEMBL4152945 0.90 P2RX3 (0.52) EPHX2P2RX3P2RX2NR3C2P2RX7
SCHEMBL4304856 0.88 P2RX3 (0.47) GABRA5EPHX2P2RX3P2RX2ADORA1
SCHEMBL4167911 0.83 P2RX3 (0.49) GABRA5P2RX3P2RX2NR3C2ITGA5
SCHEMBL4144262 0.83 P2RX3 (0.47) P2RX3P2RX2NR3C2
SCHEMBL4150841 0.82 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL4156494 0.79 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL4155619 0.79 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL3664334 0.79 P2RX3 (0.52) EPHX2P2RX3P2RX2HPGDSMAPK14
SCHEMBL4144071 0.78 P2RX3 (0.58) P2RX3P2RX2TTKMAPK14

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 17 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
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
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 GABRA5 677/4885EPHX2 915/4885P2RX3 1/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GABRA5 677/4885EPHX2 915/4885P2RX3 1/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GABRA5 677/4885EPHX2 915/4885P2RX3 1/4885

“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.