SCHEMBL4159698

SCHEMBL4159698

COc1c(C(=O)NCc2cccc(F)c2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
KDR P35968 1/20 0.46
MAPK1 P28482 1/20 0.43
APEX1 P27695 4/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 2/20 0.41
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
CCR1 P32246 1/20 0.40
WNT1 P04628 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
SCHEMBL4159694 1.00 TP53 (0.47) TP53KDRMAPK1APEX1AURKA
SCHEMBL4143665 0.93 APEX1 (0.52) TP53APEX1AURKAROCK2ROCK1
SCHEMBL4143659 0.93 APEX1 (0.52) TP53APEX1AURKAROCK2ROCK1
SCHEMBL4153215 0.93 APEX1 (0.53) TP53KDRMAPK1APEX1PDE10A
SCHEMBL4153220 0.93 APEX1 (0.53) TP53KDRMAPK1APEX1PDE10A
SCHEMBL4148832 0.92 TP53 (0.46) TP53MAPK1APEX1AURKATHRB
SCHEMBL4148835 0.92 TP53 (0.46) TP53MAPK1APEX1AURKATHRB
SCHEMBL4152203 0.91 MAPT (0.45) TP53MAPK1PDE10ATHRBSMN1; SMN2
SCHEMBL4152208 0.91 MAPT (0.45) TP53MAPK1PDE10ATHRBSMN1; SMN2
SCHEMBL4157360 0.91 CCR1 (0.49) ROCK2ROCK1CCR1

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 TP53 1117/4885KDR 932/4885MAPK1 7/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TP53 1057/4885KDR 1044/4885MAPK1 6/4885

“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.