SCHEMBL279569

SCHEMBL279569

[C-]#[N+]c1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnn2c1CN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.67
FGFR1 P11362 4/20 0.67
FRK P42685 3/20 0.67
MAPK9 P45984 3/20 0.67
RPS6KA3 P51812 3/20 0.67
MAP4K2 Q12851 3/20 0.67
RET P07949 3/20 0.67
PRKCD Q05655 2/20 0.67
BCR P11274 1/20 0.67
DDR1 Q08345 1/20 0.67
TNK1 Q13470 1/20 0.67
RPS6KA1 Q15418 1/20 0.67
MAP3K11 Q16584 1/20 0.67
DDR2 Q16832 1/20 0.67
RPS6KA6 Q9UK32 1/20 0.67
IKBKE Q14164 1/20 0.56
KDR P35968 13/20 0.49
FLT1 P17948 7/20 0.49
KIT P10721 7/20 0.49
TEK Q02763 5/20 0.49

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
SCHEMBL279722 0.92 FLT3 (0.58) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL275566 0.90 FLT3 (0.71) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL275765 0.90 FLT3 (0.69) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL276176 0.89 FLT3 (0.74) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL276543 0.89 FLT3 (0.68) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL275553 0.89 FLT3 (0.70) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL276951 0.89 FLT3 (0.68) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL275214 0.88 FLT3 (0.67) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL27760013 0.88 FLT3 (0.69) FLT3FGFR1FRKMAPK9RPS6KA3
SCHEMBL276291 0.88 FLT3 (0.67) FLT3FGFR1FRKMAPK9RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
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 FLT3 318/4885FGFR1 19/4885FRK 2111/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 FLT3 318/4885FGFR1 19/4885FRK 2111/4885

“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.