SCHEMBL2278089

SCHEMBL2278089

Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)N(C)C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
P2RX3 P56373 3/20 0.38
P2RX2 Q9UBL9 3/20 0.38
CTRC Q99895 1/20 0.38
KDM4C Q9H3R0 4/20 0.38
KDM5B Q9UGL1 4/20 0.38
KDM5A P29375 3/20 0.38
KDM4A O75164 1/20 0.38
P2RY14 Q15391 3/20 0.38
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
FABP1 P07148 1/20 0.35
MAP4K4 O95819 1/20 0.35
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL2278513 0.90 DHODH (0.42) DHODHP2RX3P2RX2CTRCKDM4C
SCHEMBL4167889 0.88 DHODH (0.41) DHODHP2RX3P2RX2CTRCKDM4C
SCHEMBL2275190 0.88 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL2273719 0.85 DHODH (0.39) DHODHP2RX3P2RX2CTRCKDM4C
SCHEMBL2275947 0.84 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL2278433 0.84 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL2274448 0.83 P2RX3 (0.44) P2RX3P2RX2
SCHEMBL3713269 0.83 P2RX3 (0.39) DHODHP2RX3P2RX2CTRCKDM4C
SCHEMBL4314007 0.83 P2RX3 (0.44) DHODHP2RX3P2RX2CTRCP2RY14
SCHEMBL3723861 0.81 P2RX3 (0.38) DHODHP2RX3P2RX2CTRCKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 US claimed
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 DHODH 3983/4885P2RX3 1/4885P2RX2 2/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 DHODH 4213/4885P2RX3 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.