SCHEMBL21024548

SCHEMBL21024548

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ CCKAR P32238 1/20 0.32
▸ CCKBR P32239 1/20 0.32
▸ NOTUM Q6P988 2/20 0.31

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
SCHEMBL21024549 0.90 FPR1 (0.34) FPR1FPR2KMT2AALDH1A1PRKDC
SCHEMBL21024564 0.88 DDB1 (0.34) FPR1FPR2KMT2AMEN1TSHR
SCHEMBL21024574 0.88 LRRK2 (0.35) FPR1FPR2KMT2AMEN1ALDH1A1
SCHEMBL21024568 0.87 FPR1 (0.32) FPR1FPR2KMT2AALDH1A1PRKDC
SCHEMBL21024562 0.86 DDB1 (0.33) FPR1FPR2KMT2AALDH1A1PRKDC
Zelicapavir SCHEMBL20098063 0.86 CCKAR (0.44) CCKARCCKBRCBLB
Zelicapavir SCHEMBL21117236 0.86 CCKAR (0.44) CCKARCCKBRCBLB
Zelicapavir SCHEMBL31517188 0.86 CCKAR (0.44) CCKARCCKBRCBLB
Zelicapavir SCHEMBL31418683 0.86 CCKAR (0.44) CCKARCCKBRCBLB
Zelicapavir SCHEMBL20098421 0.86 CCKAR (0.44) CCKARCCKBRCBLB

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 FPR1 244/4885FPR2 329/4885NTRK1 4446/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 FPR1 244/4885FPR2 329/4885NTRK1 4446/4885

“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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