SCHEMBL21755266

SCHEMBL21755266

COc1ccnc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4NC3=O)o2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.43
CCKAR P32238 9/20 0.43
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTCH1 P46531 1/20 0.40
RBPJ Q06330 1/20 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
SCHEMBL20098072 1.00 CCKBR (0.43) CCKBRCCKARFPR1FPR2MEN1
SCHEMBL20098226 0.88 KDM4E (0.48) CCKBRCCKARFPR1FPR2ALDH1A1
SCHEMBL21755183 0.88 KDM4E (0.48) CCKBRCCKARFPR1FPR2ALDH1A1
SCHEMBL21755254 0.87 CCKBR (0.43) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL20098061 0.87 CCKBR (0.43) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL20866958 0.86 CCKBR (0.41) CCKBRCCKARFPR1FPR2MEN1
SCHEMBL20098380 0.86 CCKBR (0.41) CCKBRCCKARFPR1FPR2MEN1
SCHEMBL20098394 0.86 CCKBR (0.48) CCKBRCCKARFPR1FPR2MEN1
SCHEMBL21755250 0.86 CCKBR (0.48) CCKBRCCKARFPR1FPR2MEN1
SCHEMBL20098144 0.86 CCKBR (0.48) CCKBRCCKAR

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 989/4885FPR1 217/4885

“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.