SCHEMBL4168722

SCHEMBL4168722

Cc1ccc(-c2cc(C(=O)O)cc(-n3nncc3C(C)C)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.41
P2RX2 Q9UBL9 4/20 0.41
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
JAK2 O60674 1/20 0.38
KDM1A O60341 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DHODH Q02127 1/20 0.35
CTSA P10619 2/20 0.35
ADH5 P11766 1/20 0.34
TYMS P04818 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2270936 0.86 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL2271106 0.86 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL2276901 0.84 P2RY14 (0.42) P2RX3P2RX2PTGS2DHODHTYMS
SCHEMBL2276259 0.84 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL4324315 0.82 P2RX3 (0.40) P2RX3P2RX2PTGS2AKR1C3AKR1C2
SCHEMBL2269436 0.81 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL3717176 0.81 P2RX3 (0.41) P2RX3P2RX2PTGS2AKR1C3AKR1C2
SCHEMBL4322494 0.79 P2RX3 (0.41) P2RX3P2RX2PTGS2AKR1C3AKR1C2
SCHEMBL4320091 0.79 LMNA (0.41) P2RX3P2RX2PTGS2AKR1C3AKR1C2
SCHEMBL16667404 0.79 P2RX3 (0.43) P2RX3P2RX2PTGS2CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 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 (2 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-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885PTGS2 1202/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885PTGS2 1184/4885

“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.