SCHEMBL2275997

SCHEMBL2275997

CC(C)C(=O)N=CN(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2275993 1.00 CYP1A2 (0.31) CYP1A2CYP2C19POLB
SCHEMBL12200032 1.00 CYP1A2 (0.31) CYP1A2CYP2C19POLB
SCHEMBL28928422 0.83 TP53 (0.33) CYP1A2CYP2C19POLB
SCHEMBL23301101 0.81
SCHEMBL21857857 0.81
SCHEMBL28890358 0.80 CYP1A2 (0.31) CYP1A2CYP2C19POLB
SCHEMBL20899842 0.78 POLB (0.33) CYP1A2CYP2C19POLB
SCHEMBL20899843 0.78 POLB (0.33) CYP1A2CYP2C19POLB
SCHEMBL28823992 0.76 ALDH1A1 (0.34)
SCHEMBL28823993 0.76 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225213-B1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-04-29 EP disclosed
EP-2607356-B1 Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists HOFFMANN LA ROCHE (CH) 2015-04-29 EP 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
CN-101903359-B Triazole-substituted arylamide derivatives and their use as P2X3 and/or P2X2/3 purinergic receptor antagonists HOFFMANN LA ROCHE 2013-05-22 CN 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-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
EP-2225213-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-09-08 EP disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
WO-2009077366-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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 CYP1A2 1235/4885CYP2C19 789/4885POLB 4385/4885
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 CYP1A2 1235/4885CYP2C19 789/4885POLB 4385/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 CYP1A2 1219/4885CYP2C19 726/4885POLB 4588/4885

“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.