SCHEMBL12424677

SCHEMBL12424677

Cc1cncc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.59
FLT3 P36888 7/20 0.56
PDGFRB P09619 5/20 0.56
NTRK1 P04629 3/20 0.56
NTRK2 Q16620 3/20 0.56
AURKB Q96GD4 3/20 0.56
RET P07949 2/20 0.56
NTRK3 Q16288 2/20 0.56
LTK P29376 1/20 0.56
CDK8 P49336 1/20 0.56
MAPK14 Q16539 1/20 0.56
RIPK1 Q13546 2/20 0.52
KIT P10721 6/20 0.51
CSF1R P07333 5/20 0.51
FLT1 P17948 5/20 0.51
LCK P06239 4/20 0.51
FLT4 P35916 4/20 0.51
ABL1 P00519 3/20 0.51
FYN P06241 3/20 0.51
LYN P07948 3/20 0.51

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
SCHEMBL2235566 0.89 KDR (0.59) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL1703031 0.79 KDR (0.60) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL13209956 0.78 KDR (0.80) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL2238775 0.78 RAF1 (0.55) KDRFLT3PDGFRBKITCSF1R
SCHEMBL3842668 0.77 KDR (0.59) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL14270630 0.77 KDR (0.55) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL13873229 0.76 KDR (0.70) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL13541769 0.76 CA12 (0.69) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL1702846 0.76 RIPK1 (0.54) KDRFLT3PDGFRBNTRK1NTRK2
SCHEMBL2904038 0.75 KDR (0.55) KDRFLT3PDGFRBNTRK1NTRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 US 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-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 KDR 2947/4885FLT3 121/4885PDGFRB 1523/4885

“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.