SCHEMBL3759917

SCHEMBL3759917

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(C#N)c4)c3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.42
PDE4D Q08499 1/20 0.40
MST1 P26927 1/20 0.40
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
STK26 Q9P289 1/20 0.40
KCNH2 Q12809 1/20 0.40
TNIK Q9UKE5 1/20 0.40
SMG1 Q96Q15 1/20 0.40
PRKDC P78527 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CG P48736 2/20 0.38
BUB1 O43683 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MET P08581 1/20 0.36
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3757659 0.91 PRKDC (0.40) LRRK2PRKDCPIK3CAPIK3CGBUB1
SCHEMBL3762158 0.88 LRRK2 (0.38) LRRK2STK4STK3SMG1PIK3CA
SCHEMBL3766682 0.88 KDM1A (0.40) PIK3CAPIK3CGBUB1PIK3CDPIK3CB
SCHEMBL3764482 0.88 BUB1 (0.44) PIK3CAPIK3CGBUB1PIK3CDPIK3CB
SCHEMBL3756713 0.88 JAK2 (0.40) PRKDCPIK3CAPIK3CGBUB1PIK3CD
SCHEMBL3760222 0.88 PIK3CA (0.45) PRKDCPIK3CAPIK3CGBUB1PIK3CD
SCHEMBL3762759 0.87 PRKDC (0.40) PRKDCPIK3CAPIK3CGBUB1PIK3CD
SCHEMBL3761577 0.87 PRKDC (0.42) PRKDCPIK3CAPIK3CGBUB1PIK3CD
SCHEMBL3760657 0.87 PIK3CA (0.38) LRRK2KCNH2TNIKPRKDCTBK1
SCHEMBL3761568 0.87 GABRA1 (0.46) LRRK2PIK3CAPIK3CGBUB1PIK3CD

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 LRRK2 368/4885PDE4D 1297/4885MST1 1265/4885

“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.