SCHEMBL4137486

SCHEMBL4137486

COc1c(C(=O)NCc2ccccc2C(F)(F)F)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.46
CCR1 P32246 1/20 0.46
KLKB1 P03952 1/20 0.42
PTGES O14684 7/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
P2RX7 Q99572 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PPARG P37231 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL4137482 1.00 EPHX2 (0.46) EPHX2CCR1KLKB1PTGESMAPK13
SCHEMBL4149520 0.90 PLA2G1B (0.50) ROCK2ROCK1
SCHEMBL4145941 0.90 LMNA (0.42) KLKB1P2RX7ROCK2ROCK1
SCHEMBL4149527 0.90 PLA2G1B (0.50) ROCK2ROCK1
SCHEMBL4145935 0.90 LMNA (0.42) KLKB1P2RX7ROCK2ROCK1
SCHEMBL4148832 0.86 TP53 (0.46)
SCHEMBL4148835 0.86 TP53 (0.46)
SCHEMBL4152203 0.85 MAPT (0.45)
SCHEMBL4152208 0.85 MAPT (0.45)
SCHEMBL4149303 0.85 PSEN1 (0.43) P2RX7PPARG

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B EPHX2 2495/4885CCR1 536/4885KLKB1 3872/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B EPHX2 2465/4885CCR1 432/4885KLKB1 4099/4885

“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.