SCHEMBL58580

SCHEMBL58580

CC(=O)N1CCN(Cc2cc(-c3ccc(N(C(=O)O)C(C)(C)C)c(F)c3)c3c(N)ncnn23)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 16/20 0.50
PIK3CD O00329 2/20 0.39
MERTK Q12866 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL58645 0.90 ACVRL1 (0.61) ACVRL1PIK3CDMERTK
SCHEMBL56767 0.85 ACVRL1 (0.58) ACVRL1PIK3CDMERTKMAP4K4
SCHEMBL2635291 0.82 ACVRL1 (0.53) ACVRL1MERTK
SCHEMBL66554 0.80 ACVRL1 (0.49) ACVRL1PIK3CDMERTK
SCHEMBL59022 0.80 ACVRL1 (0.59) ACVRL1PIK3CDMERTK
SCHEMBL90826 0.77 ACVRL1 (0.49) ACVRL1MERTKMAP4K4
SCHEMBL57965 0.77 FLT3 (0.59) ACVRL1MAP4K4
SCHEMBL276256 0.75 FGFR1 (0.49) ACVRL1PIK3CDMERTK
SCHEMBL27768106 0.74 ACVRL1 (0.61) ACVRL1MERTK
SCHEMBL90935 0.74 KDR (0.51) ACVRL1MERTKMAP4K4

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 963/4885PIK3CD 608/4885MERTK 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.