SCHEMBL3754902

SCHEMBL3754902

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(CN5CCC(N)CC5)c4)c3)c2C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
LRRK2 Q5S007 3/20 0.35
PIM1 P11309 1/20 0.34
USP7 Q93009 1/20 0.34
BUB1 O43683 1/20 0.33
PIK3CD O00329 2/20 0.33
KIT P10721 1/20 0.33
CA2 P00918 1/20 0.33
PRKACA P17612 3/20 0.33
PRKACG P22612 3/20 0.33
PRKACB P22694 3/20 0.33
PIK3CA P42336 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 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
SCHEMBL3755059 0.96 PRKACA (0.38) PSMB8MAPKAPK2PARP1PARP2LRRK2
SCHEMBL3760587 0.96 PRKACA (0.38) PSMB8MAPKAPK2PARP1PARP2LRRK2
SCHEMBL3760623 0.93 PSMB8 (0.41) PSMB8MAPKAPK2LRRK2USP7BUB1
SCHEMBL3760242 0.92 PSMB8 (0.38) PSMB8MAPKAPK2LRRK2BUB1PIK3CD
SCHEMBL3760485 0.92 MAPKAPK2 (0.36) PSMB8MAPKAPK2LRRK2BUB1PIK3CD
SCHEMBL3759336 0.91 PSMB8 (0.37) PSMB8MAPKAPK2BUB1PIK3CDKIT
SCHEMBL3763610 0.90 MTOR (0.40) PSMB8MAPKAPK2LRRK2BUB1PIK3CD
SCHEMBL3766694 0.90 CXCR4 (0.38) PSMB8MAPKAPK2BUB1PIK3CDKIT
SCHEMBL3760542 0.90 BUB1 (0.32) BUB1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3760539 0.90 BUB1 (0.32) BUB1PIK3CDPIK3CAPIK3CBPIK3CG

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 PSMB8 2451/4885MAPKAPK2 53/4885PARP1 2569/4885

“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.