SCHEMBL276076

SCHEMBL276076

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.48
KIT P10721 6/20 0.48
LCK P06239 4/20 0.48
FLT3 P36888 4/20 0.48
AURKA O14965 3/20 0.48
FYN P06241 3/20 0.48
LYN P07948 3/20 0.48
BLK P51451 3/20 0.48
CSF1R P07333 3/20 0.48
FLT1 P17948 3/20 0.48
FLT4 P35916 3/20 0.48
ABL1 P00519 2/20 0.48
SRC P12931 2/20 0.48
NTRK1 P04629 2/20 0.48
PIM1 P11309 2/20 0.48
MARK3 P27448 2/20 0.48
MAPK9 P45984 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
RPS6KA3 P51812 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
SCHEMBL275950 0.95 KDR (0.49) KDRKITLCKFLT3AURKA
SCHEMBL276506 0.93 KDR (0.48) KDRKITLCKFLT3AURKA
SCHEMBL328089 0.90 KDR (0.48) KDRKITLCKFLT3AURKA
SCHEMBL276507 0.89 KDR (0.49) KDRKITLCKFLT3AURKA
SCHEMBL327920 0.87 KDR (0.51) KDRKITLCKFLT3AURKA
SCHEMBL276033 0.87 KDR (0.52) KDRKITLCKFLT3AURKA
SCHEMBL275189 0.85 KDR (0.48) KDRKITLCKFLT3AURKA
SCHEMBL327928 0.85 KDR (0.50) KDRKITLCKFLT3AURKA
SCHEMBL10291314 0.83 KDR (0.49) KDRKITLCKFLT3AURKA
SCHEMBL276371 0.79 BRAF (0.45) KDRKITLCKFLT3AURKA

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 15 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-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-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
EP-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP disclosed
EP-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP 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-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-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
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP 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-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
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
EP-1957077-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer HealthCare LLC (US) 2008-08-20 EP disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO 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 KDR 27/4885KIT 2199/4885LCK 1199/4885
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 2199/4885LCK 1199/4885

“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.