SCHEMBL21024562

SCHEMBL21024562

O=C1Nc2ccccc2C(c2ccccc2)=C[C@@H]1Nc1nnc(-c2ncc(C3CCC3)cc2N2CCOCC2)o1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ PRKDC P78527 2/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CBLB Q13191 6/20 0.31
▸ ATR Q13535 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21024564 0.97 DDB1 (0.34) DDB1CRBNFPR1FPR2PRKDC
SCHEMBL21024549 0.89 FPR1 (0.34) DDB1CRBNFPR1FPR2PRKDC
SCHEMBL21024574 0.87 LRRK2 (0.35) FPR1FPR2PRKDCCBLBALDH1A1
SCHEMBL21024548 0.86 FPR1 (0.34) FPR1FPR2PRKDCCBLBALDH1A1
SCHEMBL21024568 0.86 FPR1 (0.32) DDB1CRBNFPR1FPR2PRKDC
SCHEMBL24612137 0.84 CBLB (0.42) CBLB
SCHEMBL20098157 0.84 CBLB (0.42) CBLB
SCHEMBL20098514 0.83 CBLB (0.44) CBLB
SCHEMBL20985164 0.79 CBLB (0.33) DDB1CRBNFPR1FPR2PRKDC
SCHEMBL20985177 0.79 CBLB (0.33) DDB1CRBNFPR1FPR2PRKDC

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-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 — — US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 — — 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-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 DDB1 4573/4885CRBN 2108/4885FPR1 244/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 DDB1 4573/4885CRBN 2108/4885FPR1 244/4885

“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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