SCHEMBL275867

SCHEMBL275867

COCc1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.52
KIT P10721 10/20 0.52
FLT3 P36888 9/20 0.52
AURKA O14965 4/20 0.49
AURKB Q96GD4 3/20 0.49
RPS6KA3 P51812 4/20 0.47
FGFR1 P11362 3/20 0.47
LCK P06239 3/20 0.47
BLK P51451 3/20 0.47
STK3 Q13188 3/20 0.47
RET P07949 2/20 0.47
PDPK1 O15530 2/20 0.47
DAPK3 O43293 2/20 0.47
PRKD3 O94806 1/20 0.47
PDGFRA P16234 1/20 0.47
FER P16591 1/20 0.47
LTK P29376 1/20 0.47
SYK P43405 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
ALK Q9UM73 1/20 0.47

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
SCHEMBL276320 0.90 FLT3 (0.52) KDRKITFLT3AURKAAURKB
SCHEMBL275897 0.90 FLT3 (0.46) KDRKITFLT3AURKAAURKB
SCHEMBL276101 0.90 FLT3 (0.51) KDRKITFLT3AURKAAURKB
SCHEMBL276442 0.88 FGFR1 (0.44) KDRKITFLT3RPS6KA3FGFR1
SCHEMBL275474 0.83 FGFR1 (0.63) KDRKITFLT3AURKAAURKB
SCHEMBL276575 0.81 FLT3 (0.52) KDRFLT3AURKAAURKBRPS6KA3
SCHEMBL275603 0.81 FLT3 (0.55) KDRKITFLT3AURKAAURKB
SCHEMBL275106 0.81 FLT3 (0.46) KDRFLT3RPS6KA3FGFR1RET
SCHEMBL15221979 0.80 KDR (0.54) KDRKITFLT3AURKAAURKB
SCHEMBL15222002 0.80 AURKB (0.46) KDRKITFLT3AURKAAURKB

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 8 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
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
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-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 2199/4885FLT3 318/4885
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 2199/4885FLT3 318/4885

“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.