SCHEMBL4153215

SCHEMBL4153215

COc1c(C(=O)NCc2cccc(Cl)c2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.53
CCR1 P32246 1/20 0.46
POLB P06746 1/20 0.43
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TP53 P04637 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KLKB1 P03952 1/20 0.40
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.39
HCRTR1 O43613 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4153220 1.00 APEX1 (0.53) APEX1CCR1POLBMAPK3MAPK1
SCHEMBL4159694 0.93 TP53 (0.47) APEX1CCR1MAPK1PDE10ATP53
SCHEMBL4159698 0.93 TP53 (0.47) APEX1CCR1MAPK1PDE10ATP53
SCHEMBL4143659 0.91 APEX1 (0.52) APEX1TP53ROCK2ROCK1KMT2A
SCHEMBL4143665 0.91 APEX1 (0.52) APEX1TP53ROCK2ROCK1KMT2A
SCHEMBL4148835 0.90 TP53 (0.46) APEX1POLBMAPK1TP53KMT2A
SCHEMBL4148832 0.90 TP53 (0.46) APEX1POLBMAPK1TP53KMT2A
SCHEMBL4152208 0.89 MAPT (0.45) POLBMAPK1PDE10ATP53KMT2A
SCHEMBL4152203 0.89 MAPT (0.45) POLBMAPK1PDE10ATP53KMT2A
SCHEMBL4157360 0.89 CCR1 (0.49) CCR1ROCK2ROCK1

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 APEX1 4097/4885CCR1 536/4885POLB 2798/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B APEX1 3561/4885CCR1 432/4885POLB 2534/4885

“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.