SCHEMBL20580035

SCHEMBL20580035

O=C1Nc2ccccc2N(c2ccccc2)C[C@@H]1Nc1nnc(-c2ncc(C(F)(F)F)cc2N2CCOCC2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL20580036 1.00 DDB1 (0.35) DDB1CRBNKDM4EALDH1A1MAPT
SCHEMBL22363271 0.93 DDB1 (0.33) DDB1CRBNKDM4EALDH1A1MAPT
SCHEMBL22363273 0.88 DDB1 (0.37) DDB1CRBNALDH1A1MAPTGAA
SCHEMBL22363279 0.83 DDB1 (0.36) DDB1CRBNALDH1A1MAPTKMT2A
SCHEMBL20580192 0.82 CXCR3 (0.34) DDB1CRBNKDM4EALDH1A1MAPT
SCHEMBL20580190 0.82 CXCR3 (0.34) DDB1CRBNKDM4EALDH1A1MAPT
SCHEMBL22363325 0.82 FPR2 (0.34) BCHEACHEBACE1
SCHEMBL21024548 0.81 FPR1 (0.34) KDM4EALDH1A1KMT2AMEN1GAA
Zelicapavir SCHEMBL20098063 0.80 CCKAR (0.44) —
Zelicapavir SCHEMBL31418683 0.80 CCKAR (0.44) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
WO-2018226801-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2018-12-13 — — WO disclosed
US-20180354912-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-12-13 — — 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-20180354912-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS AHR, FURIN, CYP3A5 DDB1 4468/4885CRBN 1203/4885KDM4E 544/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 DDB1 4468/4885CRBN 1203/4885KDM4E 544/4885

“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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