SCHEMBL90887

SCHEMBL90887

Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CN4CCNCC4)n4ncnc(N)c34)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 3/20 0.59
KDR P35968 16/20 0.51
FLT3 P36888 9/20 0.51
KIT P10721 8/20 0.51
FLT1 P17948 7/20 0.49
FLT4 P35916 7/20 0.49
CSF1R P07333 6/20 0.49
LCK P06239 6/20 0.49
BLK P51451 6/20 0.49
AURKB Q96GD4 5/20 0.49
LYN P07948 5/20 0.49
AURKA O14965 4/20 0.49
ROCK2 O75116 4/20 0.49
AXL P30530 4/20 0.49
FRK P42685 4/20 0.49
CSNK1G2 P78368 4/20 0.49
ROCK1 Q13464 4/20 0.49
CLK4 Q9HAZ1 4/20 0.49
CSNK1G1 Q9HCP0 4/20 0.49
MAP4K5 Q9Y4K4 4/20 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
SCHEMBL90935 0.91 KDR (0.51) ACVRL1KDRFLT3KITFLT1
SCHEMBL58124 0.91 KDR (0.62) ACVRL1KDRFLT3KITFLT1
SCHEMBL58142 0.90 ACVRL1 (0.57) ACVRL1KDRFLT3KITFLT1
SCHEMBL90924 0.90 KDR (0.49) ACVRL1KDRFLT3KITFLT1
SCHEMBL57826 0.88 KDR (0.59) ACVRL1KDRFLT3KITFLT1
SCHEMBL90824 0.88 KDR (0.48) ACVRL1KDRFLT3KITFLT1
SCHEMBL59065 0.85 ACVRL1 (0.47) ACVRL1KDRFLT3KITFRK
SCHEMBL90826 0.83 ACVRL1 (0.49) ACVRL1KDRFLT3KITFLT1
SCHEMBL59210 0.83 ACVRL1 (0.59) ACVRL1KDRFLT3KITFLT1
SCHEMBL58915 0.83 ACVRL1 (0.62) ACVRL1KDRFLT3KITFLT1

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 41/4885FLT3 271/4885

“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.