SCHEMBL4159688

SCHEMBL4159688

Cc1ccc(-c2cc(C(=O)O)cc(-n3ccc(C)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 7/20 0.47
DHODH Q02127 1/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
CTRC Q99895 1/20 0.42
KAT6A Q92794 2/20 0.42
FABP1 P07148 1/20 0.41
MAP4K4 O95819 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSPO P30536 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL20462876 0.84 KAT6A (0.52) KAT6AALDH1A1KDM4EGAAMAPT
SCHEMBL3663429 0.80 NOTUM (0.53) P2RY14DHODHRXRARXRBCTRC
SCHEMBL3664158 0.80 DHODH (0.48) P2RY14DHODHRXRARXRBCTRC
SCHEMBL18311211 0.79 KAT6A (0.61) KAT6AALDH1A1KDM4EGAAMAPT
SCHEMBL4150957 0.78 KDM5A (0.49) P2RY14DHODHRXRARXRBCTRC
SCHEMBL357612 0.78 P2RY14 (0.50) P2RY14DHODHRXRARXRBCTRC
SCHEMBL18311209 0.78 KAT6A (0.54) RXRAKAT6AKDM5AKDM4CKDM5B
SCHEMBL4173620 0.77 P2RY14 (0.47) P2RY14DHODHRXRARXRBCTRC
SCHEMBL13774496 0.77
SCHEMBL4163607 0.76 DHODH (0.49) P2RY14DHODHRXRARXRBCTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 US disclosed
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
EP-2234976-B1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
US-20090170873-A1 Pyrazole-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 (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-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RY14 14/4885DHODH 3505/4885RXRA 595/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RY14 14/4885DHODH 3505/4885RXRA 595/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RY14 14/4885DHODH 3505/4885RXRA 595/4885

“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.