SCHEMBL18412940

SCHEMBL18412940

CNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.36
▸ RAF1 P04049 6/20 0.34
▸ BRAF P15056 6/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL18394865 0.89 F10 (0.38) F10PTGS2
SCHEMBL18412939 0.87 F10 (0.34) F10RAF1BRAFPTGS2MAP4K1
SCHEMBL18394446 0.86 F10 (0.35) F10RAF1BRAFPTGS2MAP4K1
SCHEMBL20098694 0.84 F10 (0.34) F10RAF1BRAFPTGS2MAP4K1
SCHEMBL20098569 0.74 F10 (0.45) F10PTGS2
SCHEMBL20580171 0.70 KDM4E (0.47) LRRK2
SCHEMBL18412926 0.68 KDM4E (0.38) —
SCHEMBL18395298 0.63 KDM4E (0.46) —
SCHEMBL2185640 0.60 HIPK4 (0.48) PTGS2LRRK2
SCHEMBL18412924 0.60 KDM4E (0.36) —

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-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-01-26 — — 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-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 F10 1867/4885RAF1 3212/4885BRAF 3466/4885

“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.

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