SCHEMBL3761691

SCHEMBL3761691

CCOc1cccc(-c2c(N3CCOCC3)sc3c2CC(C)(C)CC3=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WRN Q14191 3/20 0.44
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HTT P42858 1/20 0.39
PRKDC P78527 3/20 0.37
BRD4 O60885 2/20 0.37
ATM Q13315 1/20 0.37
BUB1 O43683 1/20 0.36
AKT1 P31749 1/20 0.36
BRD2 P25440 1/20 0.35
CREBBP Q92793 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL3759783 0.90 MEN1 (0.38) WRNALDH1A1SMN1; SMN2MAPTPIK3CD
SCHEMBL3754814 0.90 PRKDC (0.46) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL3760440 0.89 PRKDC (0.51) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3759252 0.87 PRKDC (0.47) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3766054 0.87 PRKDC (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3760325 0.85 PRKDC (0.49) WRNALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL3758948 0.84 PIK3CD (0.42) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL3757704 0.84 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3764864 0.84 PIK3CA (0.42) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL3760569 0.84 PRKDC (0.46) ALDH1A1SMN1; SMN2PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA WRN 2045/4885ALDH1A1 3061/4885SMN1; SMN2 1864/4885

“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.