SCHEMBL3716144

SCHEMBL3716144

Cc1ccc(-c2cc(C(=O)O)cc(-c3cnn(C)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
MAP4K4 O95819 1/20 0.53
CHEK1 O14757 1/20 0.52
DHODH Q02127 1/20 0.51
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
LRRK2 Q5S007 1/20 0.49
CCNC P24863 2/20 0.47
CDK8 P49336 2/20 0.47
LOXL2 Q9Y4K0 3/20 0.47
KDR P35968 1/20 0.45
EPHB4 P54760 1/20 0.45
TEK Q02763 1/20 0.45
BRD4 O60885 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ACVR1 Q04771 1/20 0.44
BTK Q06187 1/20 0.44
CTRC Q99895 1/20 0.44

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
SCHEMBL1222255 0.83 CHEK1 (0.70) MKNK1MKNK2MAP4K4CHEK1PIM1
SCHEMBL844281 0.81 LRRK2 (0.61) MKNK1MKNK2LRRK2CCNCCDK8
SCHEMBL16196117 0.81 DHODH (0.70) MAP4K4DHODHRXRARXRBCTRC
SCHEMBL29627308 0.78 KMO (0.54) MKNK1MKNK2MAP4K4CHEK1PIM1
SCHEMBL21816369 0.78 KMO (0.54) MKNK1MKNK2MAP4K4CHEK1PIM1
SCHEMBL1495453 0.78 DHODH (0.70) MAP4K4DHODHRXRARXRBCTRC
Hydrochloric Acid SCHEMBL29971276 0.77 KMO (0.53) MKNK1MKNK2MAP4K4CHEK1PIM1
SCHEMBL345756 0.76 LOXL2 (0.50) MKNK1MKNK2MAP4K4CHEK1PIM1
SCHEMBL4156643 0.76 KDM4C (0.51) MAP4K4DHODHRXRARXRBCTRC
SCHEMBL31705513 0.76 MKNK1 (0.61) MKNK1MKNK2MAP4K4CHEK1PIM1

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 8 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
EP-2234976-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES 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 (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 MKNK1 3426/4885MKNK2 2405/4885MAP4K4 3215/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 MKNK1 3426/4885MKNK2 2405/4885MAP4K4 3215/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 MKNK1 3426/4885MKNK2 2405/4885MAP4K4 3215/4885

“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.