SCHEMBL328089

SCHEMBL328089

CCOC(=O)c1c(-c2ccc(NC(=O)Nc3cc(CF)ccn3)cc2)c2c(N)ncnn2c1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.48
KIT P10721 4/20 0.48
NTRK1 P04629 3/20 0.48
NTRK2 Q16620 3/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
LYN P07948 2/20 0.48
PIM1 P11309 2/20 0.48
MARK3 P27448 2/20 0.48
FLT3 P36888 2/20 0.48
MAPK9 P45984 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
BLK P51451 2/20 0.48
RPS6KA3 P51812 2/20 0.48
STK3 Q13188 2/20 0.48
ROCK1 Q13464 2/20 0.48
ERBB4 Q15303 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.48

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
SCHEMBL327928 0.95 KDR (0.50) KDRKITNTRK1NTRK2LCK
SCHEMBL10291314 0.93 KDR (0.49) KDRKITNTRK1NTRK2LCK
SCHEMBL276076 0.90 KDR (0.48) KDRKITNTRK1NTRK2LCK
SCHEMBL275950 0.85 KDR (0.49) KDRKITNTRK1NTRK2LCK
SCHEMBL276506 0.82 KDR (0.48) KDRKITNTRK1NTRK2LCK
SCHEMBL276507 0.79 KDR (0.49) KDRKITNTRK1NTRK2LCK
SCHEMBL327920 0.76 KDR (0.51) KDRKITNTRK1NTRK2LCK
SCHEMBL276033 0.76 KDR (0.52) KDRKITNTRK1NTRK2LCK
SCHEMBL275189 0.74 KDR (0.48) KDRKITNTRK1NTRK2LCK
SCHEMBL10290516 0.70 KDR (0.40) KDRKITNTRK1NTRK2LCK

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-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 (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-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 KDR 27/4885KIT 2199/4885NTRK1 1805/4885

“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.