SCHEMBL10272909

SCHEMBL10272909

Bc1c(CO)c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.59
AURKB Q96GD4 2/20 0.59
KDR P35968 14/20 0.57
FLT1 P17948 7/20 0.57
FLT3 P36888 7/20 0.57
KIT P10721 7/20 0.57
CSF1R P07333 5/20 0.57
TEK Q02763 5/20 0.57
FLT4 P35916 5/20 0.57
FGFR1 P11362 4/20 0.57
PDGFRB P09619 4/20 0.57
LCK P06239 4/20 0.57
PDGFRA P16234 2/20 0.57
FGFR3 P22607 2/20 0.57
FGFR2 P21802 1/20 0.57
FGFR4 P22455 1/20 0.57
RET P07949 3/20 0.56
FRK P42685 3/20 0.56
MAPK9 P45984 3/20 0.56
RPS6KA3 P51812 3/20 0.56

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
SCHEMBL327929 0.92 FLT3 (0.57) AURKAAURKBKDRFLT1FLT3
SCHEMBL328034 0.91 KDR (0.55) AURKAAURKBKDRFLT1FLT3
SCHEMBL328075 0.91 KDR (0.56) AURKAAURKBKDRFLT1FLT3
SCHEMBL10273031 0.90 KDR (0.54) AURKAAURKBKDRFLT1FLT3
SCHEMBL328021 0.89 KDR (0.53) AURKAAURKBKDRFLT1FLT3
SCHEMBL276060 0.88 FLT3 (0.68) AURKAAURKBKDRFLT1FLT3
SCHEMBL9979872 0.87 KDR (0.54) AURKAAURKBKDRFLT1FLT3
SCHEMBL328052 0.86 FLT3 (0.65) AURKAAURKBKDRFLT1FLT3
SCHEMBL10273834 0.86 KDR (0.55) AURKAAURKBKDRFLT1FLT3
SCHEMBL10291315 0.86 FLT3 (0.64) AURKAAURKBKDRFLT1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 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-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 AURKA 1123/4885AURKB 1695/4885KDR 27/4885

“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.