SCHEMBL90883

SCHEMBL90883

Cc1cccc(NC(=O)Nc2ccc(-c3cc(CN4CCOCC4)n4ncnc(N)c34)cc2I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 6/20 0.56
KDR P35968 10/20 0.52
KIT P10721 9/20 0.52
TEK Q02763 2/20 0.52
MERTK Q12866 1/20 0.49
FLT3 P36888 9/20 0.49
ERN1 O75460 1/20 0.45
AURKA O14965 3/20 0.44
FGFR1 P11362 3/20 0.44
MAPK9 P45984 3/20 0.44
MAP4K2 Q12851 3/20 0.44
PLK4 O00444 2/20 0.44
MAPK13 O15264 2/20 0.44
JAK2 O60674 2/20 0.44
ROCK2 O75116 2/20 0.44
RPS6KA5 O75582 2/20 0.44
MAP4K4 O95819 2/20 0.44
ABL1 P00519 2/20 0.44
NTRK1 P04629 2/20 0.44
LCK P06239 2/20 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
SCHEMBL90828 0.92 ACVRL1 (0.55) ACVRL1KDRKITTEKMERTK
SCHEMBL90886 0.91 ACVRL1 (0.56) ACVRL1KDRKITTEKMERTK
SCHEMBL90884 0.91 ACVRL1 (0.55) ACVRL1KDRKITTEKMERTK
SCHEMBL58935 0.91 ACVRL1 (0.57) ACVRL1KDRKITTEKMERTK
SCHEMBL57964 0.91 ACVRL1 (0.60) ACVRL1KDRKITTEKMERTK
SCHEMBL65790 0.90 ACVRL1 (0.63) ACVRL1KDRKITTEKMERTK
Hydrochloric Acid SCHEMBL58421 0.90 ACVRL1 (0.62) ACVRL1KDRKITTEKMERTK
SCHEMBL10278863 0.89 ACVRL1 (0.53) ACVRL1TEKMERTKFLT3ERN1
SCHEMBL10278467 0.89 ACVRL1 (0.57) ACVRL1KDRKITTEKMERTK
SCHEMBL90880 0.87 ACVRL1 (0.50) ACVRL1MERTKFLT3ERN1FGFR1

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-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885KDR 41/4885KIT 1409/4885

“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.