SCHEMBL3755041

SCHEMBL3755041

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccnc3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.53
GABRG2 P18507 3/20 0.53
GABRB3 P28472 3/20 0.53
GABRA5 P31644 3/20 0.53
GABRA3 P34903 3/20 0.53
GABRA2 P47869 3/20 0.53
PIK3CA P42336 8/20 0.45
PIK3CB P42338 6/20 0.45
PIK3CG P48736 6/20 0.45
PIK3CD O00329 4/20 0.45
ALPL P05186 1/20 0.43
WRN Q14191 1/20 0.41
BRD4 O60885 1/20 0.40
PRKDC P78527 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LRRK2 Q5S007 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL3760161 0.93 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3766771 0.93 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3761568 0.91 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3769513 0.88 GABRG2 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3754664 0.88 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3765059 0.84 PIK3CA (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3758948 0.83 PIK3CD (0.42) PIK3CAPIK3CBPIK3CGPIK3CDBRD4
SCHEMBL3757704 0.83 PIK3CD (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3764482 0.82 BUB1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3764864 0.82 PIK3CA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 4302/4885GABRG2 3695/4885GABRB3 3609/4885

“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.