SCHEMBL841026

SCHEMBL841026

CCc1cccc(NC(=O)Nc2ccc(-c3cc(CN4CCOCC4)n4ncnc(N)c34)c(F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 5/20 0.52
AXL P30530 4/20 0.50
MERTK Q12866 3/20 0.47
ERN1 O75460 2/20 0.46
RIPK1 Q13546 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TYRO3 Q06418 3/20 0.44
KDR P35968 4/20 0.43
KIT P10721 2/20 0.43
TEK Q02763 1/20 0.43
FLT3 P36888 2/20 0.42
AURKA O14965 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL58475 0.92 ACVRL1 (0.50) ACVRL1AXLMERTKERN1RIPK1
SCHEMBL59280 0.90 ACVRL1 (0.63) ACVRL1AXLMERTKRIPK1ALDH1A1
SCHEMBL59409 0.88 ACVRL1 (0.55) ACVRL1MERTKRIPK1ALDH1A1SMN1; SMN2
SCHEMBL58577 0.88 ERN1 (0.55) ACVRL1AXLMERTKERN1RIPK1
SCHEMBL59525 0.86 ACVRL1 (0.53) ACVRL1AXLMERTKERN1RIPK1
SCHEMBL878928 0.83 ACVRL1 (0.51) ACVRL1AXLMERTKERN1KDR
SCHEMBL27747126 0.83 ACVRL1 (0.49) ACVRL1MERTKERN1KDRKIT
Hydrochloric Acid SCHEMBL27768114 0.82 ACVRL1 (0.63) ACVRL1AXLMERTKRIPK1KDR
SCHEMBL64952 0.82 ACVRL1 (0.51) ACVRL1AXLMERTKERN1TYRO3
SCHEMBL59668 0.82 FLT3 (0.58) ACVRL1AXLERN1RIPK1TYRO3

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-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-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 (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-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885AXL 2194/4885MERTK 1905/4885

“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.