SCHEMBL3663429

SCHEMBL3663429

Cc1ccc(-c2cc(C(=O)O)cc(-n3ccnn3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
P2RY14 Q15391 11/20 0.49
DHODH Q02127 1/20 0.45
FABP1 P07148 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CTRC Q99895 1/20 0.41
OPRD1 P41143 2/20 0.41
KCNH2 Q12809 1/20 0.41
NR4A1 P22736 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
TSPO P30536 1/20 0.41

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
SCHEMBL357612 0.83 P2RY14 (0.50) NOTUMP2RY14DHODHRXRARXRB
SCHEMBL3664158 0.82 DHODH (0.48) P2RY14DHODHFABP1RXRARXRB
SCHEMBL21652704 0.81 NOTUM (0.50) NOTUMNR4A1
SCHEMBL28631382 0.81 NOTUM (0.50) NOTUMNR4A1
SCHEMBL4159688 0.80 P2RY14 (0.47) P2RY14DHODHFABP1RXRARXRB
SCHEMBL4179439 0.79 TSHR (0.49) P2RY14DHODHFABP1RXRARXRB
SCHEMBL4163607 0.78 DHODH (0.49) P2RY14DHODHFABP1RXRARXRB
SCHEMBL2274075 0.77
SCHEMBL28167460 0.77 NOTUM (0.53) NOTUMNR4A1
SCHEMBL3788000 0.76 ADH5 (0.62) DHODH

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 10 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
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
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
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 (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 NOTUM 4557/4885P2RY14 15/4885DHODH 3983/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 NOTUM 4668/4885P2RY14 14/4885DHODH 4213/4885

“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.