SCHEMBL21755280

SCHEMBL21755280

O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ccc(C(F)(F)F)cn2)o1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.54
CCKAR P32238 10/20 0.54
NOTCH1 P46531 2/20 0.40
NOTCH3 Q9UM47 2/20 0.40

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
SCHEMBL20098111 1.00 CCKBR (0.54) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL21755134 0.89 CCKBR (0.52) CCKBRCCKAR
SCHEMBL20098289 0.89 CCKBR (0.52) CCKBRCCKAR
SCHEMBL21755277 0.88 CCKBR (0.61) CCKBRCCKAR
SCHEMBL20098119 0.88 CCKBR (0.61) CCKBRCCKAR
SCHEMBL20867147 0.86 CCKBR (0.50) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL20098158 0.85 CCKBR (0.54) CCKBRCCKAR
SCHEMBL21755135 0.85 CCKBR (0.54) CCKBRCCKAR
SCHEMBL24612339 0.85 CCKBR (0.49) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL22440650 0.85 CCKBR (0.49) CCKBRCCKARNOTCH1NOTCH3

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 1 patent. 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

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-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CCKBR 509/4885CCKAR 989/4885NOTCH1 4777/4885

“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.