SCHEMBL4140164

SCHEMBL4140164

COc1cc(OC)c(CNC(=O)c2ccc3[nH]nc(/C=C/c4ccc(F)cc4)c3c2OC)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
CHEK1 O14757 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4140169 1.00 LMNA (0.39) LMNATP53ROCK2ROCK1AURKA
SCHEMBL4155895 0.90 ALDH1A1 (0.46) AURKAAURKBALDH1A1HPGDGAA
SCHEMBL4155890 0.90 ALDH1A1 (0.46) AURKAAURKBALDH1A1HPGDGAA
SCHEMBL4154023 0.90 EGLN1 (0.42) LMNATP53MAPTTHRBNQO2
SCHEMBL4154017 0.90 EGLN1 (0.42) LMNATP53MAPTTHRBNQO2
SCHEMBL4153387 0.88 LMNA (0.41) LMNATP53ALDH1A1HPGDPKM
SCHEMBL4153391 0.88 LMNA (0.41) LMNATP53ALDH1A1HPGDPKM
SCHEMBL4156431 0.87 MAPT (0.51) LMNATP53AURKAALDH1A1GAA
SCHEMBL4156427 0.87 MAPT (0.51) LMNATP53AURKAALDH1A1GAA
SCHEMBL4152203 0.87 MAPT (0.45) LMNATP53GAAMAPTTHRB

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 LMNA 3403/4885TP53 1117/4885ROCK2 503/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885TP53 1057/4885ROCK2 560/4885

“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.