SCHEMBL3002171

SCHEMBL3002171

NC(=O)N(c1cc(C(F)(F)F)ccc1F)c1cc(F)c(-c2cc(CCN3CCOCC3)n3ncnc(N)c23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 8/20 0.43
RET P07949 1/20 0.41
BCR P11274 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKCD Q05655 1/20 0.41
DDR1 Q08345 1/20 0.41
MAP4K2 Q12851 1/20 0.41
TNK1 Q13470 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
MAP3K11 Q16584 1/20 0.41
DDR2 Q16832 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.41
EPHX2 P34913 2/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
PIK3CD O00329 5/20 0.36

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
SCHEMBL5139994 0.88 ACVRL1 (0.46) ACVRL1RETBCRFGFR1FLT3
SCHEMBL842395 0.83 ACVRL1 (0.41) ACVRL1RETBCRFGFR1FLT3
SCHEMBL58030 0.83 RET (0.56) ACVRL1RETBCRFGFR1FLT3
SCHEMBL5124989 0.82 ACVRL1 (0.53) ACVRL1RETBCRFGFR1FLT3
SCHEMBL3004365 0.82 ACVRL1 (0.57) ACVRL1RETBCRFGFR1FLT3
SCHEMBL58462 0.81 RET (0.55) ACVRL1RETBCRFGFR1FLT3
SCHEMBL59034 0.81 ACVRL1 (0.58) ACVRL1RETBCRFGFR1FLT3
SCHEMBL5132591 0.80 ACVRL1 (0.52) ACVRL1RETBCRFGFR1FLT3
SCHEMBL3003145 0.79 ACVRL1 (0.45) ACVRL1RETBCRFGFR1FLT3
SCHEMBL2993342 0.78 ACVRL1 (0.51) ACVRL1RETBCRFGFR1FLT3

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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US claimed

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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885RET 1190/4885BCR 2883/4885

“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.