SCHEMBL21117035

SCHEMBL21117035

CC1(Nc2ncc3ccccc3n2)N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 8/20 0.38
CCKBR P32239 8/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
ROCK1 Q13464 1/20 0.35
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 1/20 0.33
HDAC1 Q13547 1/20 0.33
FDPS P14324 1/20 0.33
MAP3K5 Q99683 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CCNE2 O96020 1/20 0.32

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
SCHEMBL20098036 0.78 ALDH1A1 (0.41) CCKARCCKBRGABRA1GABRG2GABRB3
SCHEMBL20098035 0.77 STK10 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20098037 0.77 NPC1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20098666 0.74 GABRA1 (0.39) CCKARCCKBRGABRA1GABRG2GABRB3
SCHEMBL20098086 0.73 CCKBR (0.54) CCKARCCKBR
SCHEMBL5803308 0.71 GABRA1 (0.53) CCKARCCKBRGABRA1GABRG2GABRB3
SCHEMBL22022340 0.69 GABRA1 (0.50) CCKARCCKBRGABRA1GABRG2GABRB3
SCHEMBL21755152 0.69 GABRA1 (0.50) CCKARCCKBRGABRA1GABRG2GABRB3
SCHEMBL21755197 0.67 ADCY1 (0.43) CCKARCCKBRALDH1A1MEN1KMT2A
SCHEMBL20098184 0.67 ADCY1 (0.43) CCKARCCKBRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10865215-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2020-07-16 US disclosed
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (5 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-10865215-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CCKAR 989/4885CCKBR 509/4885GABRA1 2/4885
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN CCKAR 4257/4885CCKBR 3869/4885GABRA1 2263/4885
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CCKAR 989/4885CCKBR 509/4885GABRA1 2/4885
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 CCKAR 989/4885CCKBR 509/4885GABRA1 2/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN CCKAR 4257/4885CCKBR 3869/4885GABRA1 2263/4885

“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.