SCHEMBL3781748

SCHEMBL3781748

Cc1cnc(CNC(=O)c2cc(-c3ccc(Cl)cn3)cc(N(C)C(=O)C(C)C)c2)cn1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.53
P2RX2 Q9UBL9 9/20 0.53

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
SCHEMBL3781695 0.91 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL13014890 0.88
SCHEMBL3781743 0.81 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL3770245 0.80 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL3659395 0.80 P2RX3 (0.54) P2RX3P2RX2
SCHEMBL13014894 0.80 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL4165101 0.78 P2RX3 (0.54) P2RX3P2RX2
SCHEMBL2272754 0.77 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL2274055 0.77 P2RX3 (0.54) P2RX3P2RX2
SCHEMBL4150982 0.76 P2RX3 (0.55) P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080408-A1 PYRIDINYL AMIDES AS P2X3 AND P2X2/3 INHIBITORS ROCHE PALO ALTO LLC (US) 2015-03-19 US claimed
US-8895589-B2 Pyridinyl amides as P2X3 and P2X2/3 inhibitors ROCHE PALO ALTO LLC (US) 2014-11-25 US claimed
US-20130165443-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS BROKA CHRIS ALLEN (US) 2013-06-27 US claimed
US-20100324056-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS BROKA CHRIS ALLEN 2010-12-23 US claimed
US-20170057932-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-9505726-B2 Substituted biphenyl amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-11-29 US disclosed
US-20150080408-A1 PYRIDINYL AMIDES AS P2X3 AND P2X2/3 INHIBITORS ROCHE PALO ALTO LLC (US) 2015-03-19 US disclosed
US-8895589-B2 Pyridinyl amides as P2X3 and P2X2/3 inhibitors ROCHE PALO ALTO LLC (US) 2014-11-25 US disclosed
US-20130165443-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS BROKA CHRIS ALLEN (US) 2013-06-27 US disclosed
US-8283383-B2 Biphenyl amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-10-09 US disclosed
US-20100324056-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS BROKA CHRIS ALLEN 2010-12-23 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-20150080408-A1 PYRIDINYL AMIDES AS P2X3 AND P2X2/3 INHIBITORS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885
US-20100324056-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885
US-20170057932-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885
US-20130165443-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885

“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.