SCHEMBL4149490

SCHEMBL4149490

Nc1cc(F)c2[nH]nc(C=Cc3ccccn3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
NTRK3 Q16288 11/20 0.48
NTRK1 P04629 11/20 0.48
NTRK2 Q16620 10/20 0.48
CHEK1 O14757 1/20 0.47
CSF1R P07333 2/20 0.42
PDGFRB P09619 2/20 0.42
KIT P10721 2/20 0.42
PDGFRA P16234 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
GRM4 Q14833 1/20 0.38
FGFR1 P11362 2/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
RIOK3 O14730 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL4144766 0.83 KDR (0.47) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL4141491 0.82 CHEK1 (0.50) KDRCHEK1NPC1RAB9AGRM4
SCHEMBL4145365 0.79 TTK (0.45) KDRCHEK1NPC1AURKATTK
SCHEMBL4137281 0.79 APP (0.35) KDRNTRK3NTRK1NTRK2CHEK1
SCHEMBL4140773 0.78 CHEK1 (0.45) CHEK1MEN1NPC1RAB9AKMT2A
SCHEMBL4136204 0.78 CHEK1 (0.45) CHEK1MEN1NPC1RAB9AKMT2A
SCHEMBL4139812 0.77 KDM4E (0.38) KDRCHEK1MEN1KMT2AGRM4
SCHEMBL4149528 0.77 CHEK1 (0.50) KDRCHEK1GRM4FGFR1
SCHEMBL4137397 0.76 KDR (0.37) KDRCHEK1MEN1NPC1RAB9A
SCHEMBL5498220 0.75 KDR (0.69) KDRNTRK3NTRK1NTRK2CHEK1

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 KDR 932/4885NTRK3 596/4885NTRK1 922/4885

“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.