SCHEMBL83034

SCHEMBL83034

CC(=O)N1CCC(c2cc(-c3ccc(N(C(N)=O)c4cc(C(F)(F)F)ccn4)c(F)c3)c3c(N)ncnn23)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 9/20 0.49
ACVRL1 P37023 8/20 0.46
PIK3CD O00329 1/20 0.42
AXL P30530 3/20 0.42
MERTK Q12866 2/20 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
SCHEMBL5116564 0.89 ACVRL1 (0.51) TYRO3ACVRL1AXL
SCHEMBL57887 0.81 TYRO3 (0.52) TYRO3ACVRL1AXLMERTK
SCHEMBL5146643 0.79 ACVRL1 (0.53) TYRO3ACVRL1PIK3CD
SCHEMBL59086 0.79 TYRO3 (0.47) TYRO3ACVRL1AXLMERTK
SCHEMBL3005217 0.78 ACVRL1 (0.57) ACVRL1PIK3CDMERTK
SCHEMBL5130595 0.78 ACVRL1 (0.45) ACVRL1PIK3CDMERTK
SCHEMBL59657 0.76 RET (0.52) TYRO3ACVRL1AXLMERTK
SCHEMBL27747228 0.76 BTK (0.46) TYRO3ACVRL1AXLMERTK
SCHEMBL58840 0.76 TYRO3 (0.52) TYRO3ACVRL1AXLMERTK
SCHEMBL58943 0.74 BTK (0.45) TYRO3ACVRL1AXLMERTK

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 TYRO3 2455/4885ACVRL1 941/4885PIK3CD 529/4885

“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.