SCHEMBL4156431

SCHEMBL4156431

COc1ccc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
THRB P10828 1/20 0.51
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 2/20 0.45
AURKA O14965 1/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.42
TP53 P04637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL4156427 1.00 MAPT (0.51) MAPTTHRBGAARXFP1AURKA
SCHEMBL4152203 0.96 MAPT (0.45) MAPTTHRBGAARXFP1POLB
SCHEMBL4152208 0.96 MAPT (0.45) MAPTTHRBGAARXFP1POLB
SCHEMBL4154017 0.92 EGLN1 (0.42) MAPTTHRBRXFP1POLBLMNA
SCHEMBL4154023 0.92 EGLN1 (0.42) MAPTTHRBRXFP1POLBLMNA
SCHEMBL4148832 0.92 TP53 (0.46) MAPTTHRBAURKAPOLBMAPK1
SCHEMBL4148835 0.92 TP53 (0.46) MAPTTHRBAURKAPOLBMAPK1
SCHEMBL6428532 0.91 POLB (0.47) MAPTTHRBPOLBMAPK1LMNA
SCHEMBL4146515 0.91 AURKA (0.49) MAPTAURKALMNAALDH1A1MEN1
SCHEMBL4146512 0.91 AURKA (0.49) MAPTAURKALMNAALDH1A1MEN1

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 MAPT 2811/4885THRB 561/4885GAA 4511/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPT 3014/4885THRB 588/4885GAA 4714/4885

“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.