SCHEMBL90935

SCHEMBL90935

CC(=O)N1CCN(Cc2cc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c3c(N)ncnn23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.51
FLT3 P36888 8/20 0.51
KIT P10721 7/20 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
PDGFRB P09619 3/20 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
SCHEMBL90826 0.92 ACVRL1 (0.49) KDRFLT3KITFLT1FLT4
SCHEMBL90827 0.92 ACVRL1 (0.46) KDRFLT3KITFLT1FLT4
SCHEMBL90924 0.91 KDR (0.49) KDRFLT3KITFLT1FLT4
SCHEMBL90887 0.91 ACVRL1 (0.59) KDRFLT3KITFLT1FLT4
SCHEMBL58124 0.91 KDR (0.62) KDRFLT3KITFLT1FLT4
SCHEMBL58732 0.90 FLT3 (0.53) KDRFLT3KITFLT1FLT4
SCHEMBL90824 0.89 KDR (0.48) KDRFLT3KITFLT1FLT4
SCHEMBL57826 0.88 KDR (0.59) KDRFLT3KITFLT1FLT4
SCHEMBL5132716 0.84 IKBKE (0.52) KDRFLT3KITFLT1FLT4
SCHEMBL59210 0.83 ACVRL1 (0.59) KDRFLT3KITFLT1CSF1R

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-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
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
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 KDR 41/4885FLT3 271/4885KIT 1409/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 KDR 41/4885FLT3 299/4885KIT 1550/4885

“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.