SCHEMBL2269507

SCHEMBL2269507

CCc1ncnn1-c1cc(C(=O)NC2CC2)cc(-c2ccc(Cl)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
GABRA5 P31644 3/20 0.42
ITGA5 P08648 1/20 0.39
EPHX2 P34913 1/20 0.38
HPGDS O60760 4/20 0.37
CNR1 P21554 2/20 0.37
P2RX7 Q99572 2/20 0.37
CNR2 P34972 1/20 0.37
MAPK14 Q16539 2/20 0.37
LIPG Q9Y5X9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE4B Q07343 1/20 0.36
CYP2C9 P11712 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
SCHEMBL2270953 0.93 P2RX3 (0.46) P2RX3P2RX2GABRA5ITGA5EPHX2
SCHEMBL2274823 0.90 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2278497 0.88 P2RX3 (0.50) P2RX3P2RX2GABRA5ITGA5CNR1
SCHEMBL12199764 0.84 P2RX3 (0.44) P2RX3P2RX2GABRA5ITGA5EPHX2
SCHEMBL2277336 0.84 P2RX3 (0.56) P2RX3P2RX2MAPK14
SCHEMBL27848625 0.83 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL2276656 0.83 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL2276219 0.82 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL2275969 0.80 P2RX3 (0.58) P2RX3P2RX2MAPK14CYP2C9
SCHEMBL11990756 0.80 P2RX3 (0.49) P2RX3P2RX2GABRA5ITGA5CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 US claimed
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
EP-2607356-A1 Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists F. Hoffmann-La Roche AG (CH) 2013-06-26 EP disclosed
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2011-10-06 US disclosed
US-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2011-10-06 US disclosed
US-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2011-10-06 US disclosed
US-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 US disclosed
US-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 US disclosed
US-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 US disclosed
CN-101903359-A Triazole-substituted arylamide derivatives and their use as P2X3And/or P2X2/3Use of purinergic receptor antagonists HOFFMANN LA ROCHE 2010-12-01 CN disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090170874-A1 Triazole-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-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885GABRA5 459/4885
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885GABRA5 459/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885GABRA5 441/4885

“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.