SCHEMBL18412876

SCHEMBL18412876

CC(=O)c1nc(C(C)=O)c(N2CCOCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3R1 P27986 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.37
HTT P42858 3/20 0.37
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 2/20 0.36
PIK3CG P48736 3/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL20867240 0.88 RECQL (0.39) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1
SCHEMBL18412848 0.88 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1
SCHEMBL18412822 0.84 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1
SCHEMBL20098203 0.84 ALDH1A1 (0.47) PIK3CAALDH1A1KDM4EGAAMAPT
SCHEMBL18412875 0.82 L3MBTL1 (0.41) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL18412861 0.81 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1
SCHEMBL18412898 0.80 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1
SCHEMBL18412850 0.80 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1
SCHEMBL18412878 0.79 PIK3CA (0.38) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1
SCHEMBL20097527 0.77 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3R1ALDH1A1

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-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-01-26 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-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 PIK3CA 2807/4885PIK3CD 2856/4885PIK3CB 2664/4885

“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.