SCHEMBL3759252

SCHEMBL3759252

COc1cccc(COc2cccc(-c3c(N4CCOCC4)sc4c3CC(C)(C)CC4=O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.47
ATM Q13315 1/20 0.43
ALOX5 P09917 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAK O14976 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
F9 P00740 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
SCHEMBL3760440 0.93 PRKDC (0.51) PRKDCATMMRGPRX4ALDH1A1PIK3CD
SCHEMBL3754814 0.91 PRKDC (0.46) PRKDCALDH1A1RXFP1GAKCYP1A2
SCHEMBL3766054 0.89 PRKDC (0.43) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL3761691 0.87 WRN (0.44) PRKDCATMALDH1A1GAKCYP1A2
SCHEMBL3759783 0.85 MEN1 (0.38) PRKDCATMALDH1A1GAKTSHR
SCHEMBL3754652 0.82 PIK3CA (0.40) PRKDCALDH1A1HPGDHSD17B10PIK3CD
SCHEMBL3760569 0.81 PRKDC (0.46) PRKDCATMALDH1A1MAPK1PIK3CD
SCHEMBL3760606 0.80 PRKDC (0.46) PRKDCALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3759346 0.80 AOC3 (0.39) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3758948 0.80 PIK3CD (0.42) PRKDCALDH1A1GAKMAPK1MEN1

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 396/4885ALOX5 3254/4885

“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.