SCHEMBL640133

SCHEMBL640133

COC(=O)c1cc(-c2ccc(C)cn2)cc(-c2nsnc2C(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.70
P2RX2 Q9UBL9 10/20 0.70
NR1I2 O75469 3/20 0.40
CYP2C9 P11712 1/20 0.37
GRIA2 P42262 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL638758 0.88 P2RX3 (0.71) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL638719 0.83 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL638720 0.83 P2RX3 (0.74) P2RX3P2RX2NR1I2
SCHEMBL1495784 0.81 TDP1 (0.49) P2RX3P2RX2NR1I2CYP2C9TDP1
SCHEMBL407644 0.80 P2RX3 (0.47) P2RX3P2RX2NR1I2CYP2C9GRIA2
SCHEMBL639691 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL7947936 0.78 CNR2 (0.48) P2RX3P2RX2NR1I2CYP2C9TDP1
SCHEMBL3057697 0.77 P2RX3 (0.45) P2RX3P2RX2NR1I2CYP2C9TDP1
SCHEMBL1495521 0.76 CA12 (0.51) P2RX3P2RX2NR1I2CYP2C9TDP1
SCHEMBL3066007 0.76 KDM4E (0.48) P2RX3P2RX2NR1I2TDP1

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-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
EP-2379518-B1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
EP-2379518-B1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US disclosed
EP-2379518-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010069794-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 US disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 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-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885NR1I2 163/4885
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885NR1I2 163/4885
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885NR1I2 163/4885

“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.