SCHEMBL10273754

SCHEMBL10273754

Bc1c(C(=O)NCC(F)(F)F)c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncnn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.45
KDR P35968 5/20 0.44
AURKA O14965 4/20 0.44
KIT P10721 4/20 0.44
FLT3 P36888 4/20 0.44
LCK P06239 3/20 0.44
CSF1R P07333 3/20 0.44
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
FGFR1 P11362 3/20 0.44
FGFR3 P22607 2/20 0.44
ABL1 P00519 2/20 0.44
FYN P06241 2/20 0.44
LYN P07948 2/20 0.44
SRC P12931 2/20 0.44
BLK P51451 2/20 0.44
MAPK9 P45984 2/20 0.44
RPS6KA3 P51812 2/20 0.44
PLK4 O00444 1/20 0.44
DAPK3 O43293 1/20 0.44

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
SCHEMBL276166 0.92 KDR (0.45) BTKKDRAURKAKITFLT3
SCHEMBL276800 0.90 BTK (0.43) BTKKDRAURKAKITFLT3
SCHEMBL10273770 0.89 KDR (0.49) BTKKDRAURKAKITFLT3
SCHEMBL327920 0.85 KDR (0.51) BTKKDRAURKAKITFLT3
SCHEMBL277121 0.84 AURKB (0.46) BTKKDRAURKAKITFLT3
SCHEMBL275541 0.82 KDR (0.51) BTKKDRAURKAKITFLT3
SCHEMBL10225601 0.81 KDR (0.50) BTKKDRAURKAKITFLT3
SCHEMBL275168 0.80 KDR (0.51) BTKKDRAURKAKITFLT3
SCHEMBL276439 0.80 KDR (0.51) BTKKDRAURKAKITFLT3
SCHEMBL276713 0.80 KDR (0.47) BTKKDRAURKAKITFLT3

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-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
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 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 (2 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 BTK 3993/4885KDR 27/4885AURKA 1123/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 BTK 3993/4885KDR 27/4885AURKA 1123/4885

“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.