SCHEMBL4145116

SCHEMBL4145116

COC(=O)c1ccc2[nH]nc(/C=C/c3cccc(O)n3)c2c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.34
FGFR1 P11362 3/20 0.34
KDM4E B2RXH2 5/20 0.33
NR4A2 P43354 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
STAT3 P40763 1/20 0.33
HIF1A Q16665 1/20 0.33
PKN2 Q16513 3/20 0.32
PKN1 Q16512 1/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 2/20 0.32
MAP4K1 Q92918 2/20 0.32

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
SCHEMBL4145120 1.00 KDR (0.34) KDRFGFR1KDM4ENR4A2RAB9A
SCHEMBL4145364 0.91 PIM1 (0.36) KDRFGFR1KDM4ERAB9ANPC1
SCHEMBL4145370 0.91 PIM1 (0.36) KDRFGFR1KDM4ERAB9ANPC1
SCHEMBL4162191 0.86 KDR (0.42) KDRHSD17B10AURKAMETTEK
SCHEMBL4162185 0.86 KDR (0.42) KDRHSD17B10AURKAMETTEK
SCHEMBL4145333 0.85 KDR (0.46) KDRFGFR1PKN2MAP4K1PLK4
SCHEMBL4145329 0.85 KDR (0.46) KDRFGFR1PKN2MAP4K1PLK4
SCHEMBL6428387 0.83 ROCK2 (0.34) KDRFGFR1RAB9ANPC1POLB
SCHEMBL6426318 0.82 ALDH1A1 (0.44) KDM4ERAB9ANPC1POLBMAPT
SCHEMBL6426375 0.79 CAPN1 (0.44) ROCK2

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 KDR 932/4885FGFR1 278/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885FGFR1 328/4885KDM4E 2795/4885

“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.