SCHEMBL4137281

SCHEMBL4137281

COc1cccc(C=Cc2n[nH]c3c(F)cc(N)cc23)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.35
TGFBR1 P36897 1/20 0.34
KDR P35968 4/20 0.33
NTRK1 P04629 4/20 0.33
NTRK3 Q16288 4/20 0.33
NTRK2 Q16620 4/20 0.33
CHEK1 O14757 3/20 0.33
GRM4 Q14833 1/20 0.33
IDH1 O75874 1/20 0.31
BTK Q06187 1/20 0.31
PDE10A Q9Y233 2/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL4149490 0.79 KDR (0.48) KDRNTRK1NTRK3NTRK2CHEK1
SCHEMBL4142195 0.78 CHEK1 (0.46) KDRCHEK1IDH1FGFR1
SCHEMBL13927832 0.77 KDR (0.40) TGFBR1KDR
SCHEMBL4144766 0.74 KDR (0.47) KDRCHEK1FGFR1
SCHEMBL4149528 0.74 CHEK1 (0.50) KDRCHEK1GRM4FGFR1
SCHEMBL4141491 0.73 CHEK1 (0.50) KDRCHEK1GRM4
SCHEMBL4139812 0.72 KDM4E (0.38) KDRCHEK1GRM4FGFR1
SCHEMBL4145365 0.71 TTK (0.45) KDRCHEK1
SCHEMBL4137397 0.71 KDR (0.37) KDRCHEK1GRM4
SCHEMBL9000609 0.70 TGFBR1 (0.44) APPTGFBR1GRM4IDH1PDE10A

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 3 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-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 (1 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 APP 4160/4885TGFBR1 994/4885KDR 932/4885

“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.