SCHEMBL3762604

SCHEMBL3762604

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4csc5ccccc45)c3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.42
ATM Q13315 1/20 0.41
PIK3CA P42336 7/20 0.40
PIK3CD O00329 5/20 0.40
PIK3CB P42338 5/20 0.40
PIK3CG P48736 5/20 0.40
BUB1 O43683 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.34
GRIA1 P42261 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
TGFBR1 P36897 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
SCHEMBL3765618 0.87 BRD4 (0.42) PIK3CAPIK3CDPIK3CBPIK3CGBUB1
SCHEMBL3763693 0.86 GABRA1 (0.48) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3764482 0.86 BUB1 (0.44) PIK3CAPIK3CDPIK3CBPIK3CGBUB1
SCHEMBL3765702 0.86 BRD4 (0.40) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3762256 0.85 BRD4 (0.40) PIK3CAPIK3CDPIK3CBPIK3CGBUB1
SCHEMBL3769305 0.85 MAPKAPK2 (0.40) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3770917 0.84 ALOX5AP (0.40) PIK3CAPIK3CDPIK3CBPIK3CGBUB1
SCHEMBL3758763 0.83 BUB1 (0.41) PIK3CAPIK3CDPIK3CBPIK3CGBUB1
SCHEMBL3761568 0.83 GABRA1 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGBUB1
SCHEMBL3765073 0.83 LRRK2 (0.42) PIK3CAPIK3CDPIK3CBPIK3CGBUB1

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 PRKDC 112/4885ATM 396/4885PIK3CA 3/4885

“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.