SCHEMBL10273290

SCHEMBL10273290

CN1CCN(Cc2c(-c3cnco3)c(-c3ccc(NC(=O)Nc4cc(CF)ccc4F)cc3)c3c(N)ncnn23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.46
FGFR1 P11362 7/20 0.46
RPS6KA3 P51812 4/20 0.46
MAPK9 P45984 3/20 0.46
RET P07949 3/20 0.46
MAP4K2 Q12851 3/20 0.46
FRK P42685 2/20 0.46
BCR P11274 1/20 0.46
PRKCD Q05655 1/20 0.46
DDR1 Q08345 1/20 0.46
TNK1 Q13470 1/20 0.46
RPS6KA1 Q15418 1/20 0.46
MAP3K11 Q16584 1/20 0.46
DDR2 Q16832 1/20 0.46
RPS6KA6 Q9UK32 1/20 0.46
JAK3 P52333 1/20 0.41
FGFR3 P22607 3/20 0.41
KDR P35968 11/20 0.40
KIT P10721 7/20 0.40
TEK Q02763 3/20 0.40

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
SCHEMBL10272915 0.93 FLT3 (0.52) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL276297 0.90 FLT3 (0.57) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL277539 0.85 FLT3 (0.57) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL275264 0.83 FLT3 (0.65) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL10290555 0.82 FLT3 (0.44) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL275731 0.81 FGFR1 (0.54) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL277308 0.81 FGFR1 (0.54) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL327888 0.80 FLT3 (0.60) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL276622 0.77 FGFR1 (0.74) FLT3FGFR1RPS6KA3MAPK9RET
SCHEMBL10291315 0.77 FLT3 (0.64) FLT3FGFR1RPS6KA3MAPK9RET

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 FLT3 318/4885FGFR1 19/4885RPS6KA3 829/4885

“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.