SCHEMBL21117375

SCHEMBL21117375

CC[C@H]1CN(c2cc(C#N)cnc2-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4NC3=O)o2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.43
▸ CCKBR P32239 1/20 0.40
▸ CBLB Q13191 14/20 0.39
▸ CCKAR P32238 2/20 0.39
▸ CHEK1 O14757 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ STK3 Q13188 1/20 0.36

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
SCHEMBL20098618 0.92 CBLB (0.46) LRRK2CCKBRCBLBCCKARSTK3
SCHEMBL20098482 0.92 CBLB (0.46) LRRK2CCKBRCBLBCCKARSTK3
SCHEMBL20098124 0.89 CCKBR (0.44) LRRK2CCKBRCBLBCCKAR
SCHEMBL20098252 0.89 CCKBR (0.44) LRRK2CCKBRCBLBCCKAR
SCHEMBL21117273 0.89 CCKAR (0.40) CCKBRCBLBCCKAR
SCHEMBL20098534 0.85 CCKBR (0.43) CCKBRCBLBCCKAR
SCHEMBL21117137 0.84 CBLB (0.42) LRRK2CCKBRCBLBCCKAR
SCHEMBL20098590 0.83 CBLB (0.50) LRRK2CCKBRCBLBCCKAR
SCHEMBL20098480 0.83 CBLB (0.43) CCKBRCBLBCCKAR
SCHEMBL21117277 0.83 CBLB (0.45) CCKBRCBLBCCKAR

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-10570153-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-02-25 — — US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 — — 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-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 LRRK2 4367/4885CCKBR 509/4885CBLB 2850/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN LRRK2 2116/4885CCKBR 3869/4885CBLB 4388/4885

“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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