SCHEMBL3757394

SCHEMBL3757394

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(CN5CCNC(=O)C5)c4)c3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.39
PIK3R1 P27986 1/20 0.39
MAPKAPK2 P49137 1/20 0.35
PIK3CD O00329 4/20 0.35
BUB1 O43683 1/20 0.34
PSMB8 P28062 1/20 0.33
CHEK1 O14757 1/20 0.33
CXCR4 P61073 1/20 0.32
PIK3CB P42338 3/20 0.32
PIK3CG P48736 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR3 P22607 1/20 0.32
PARP1 P09874 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
BRD4 O60885 1/20 0.32
KIT P10721 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL3766694 0.94 CXCR4 (0.38) PIK3CAMAPKAPK2PIK3CDBUB1PSMB8
SCHEMBL3760623 0.91 PSMB8 (0.41) PIK3CAMAPKAPK2PIK3CDBUB1PSMB8
SCHEMBL3763305 0.91 CXCR4 (0.42) MAPKAPK2BUB1PSMB8CHEK1CXCR4
SCHEMBL3760242 0.90 PSMB8 (0.38) PIK3CAMAPKAPK2PIK3CDBUB1PSMB8
SCHEMBL3759336 0.88 PSMB8 (0.37) PIK3CAPIK3R1MAPKAPK2PIK3CDBUB1
SCHEMBL3759647 0.87 BUB1 (0.34) PIK3CAMAPKAPK2PIK3CDBUB1PSMB8
SCHEMBL3760629 0.87 MAPKAPK2 (0.34) PIK3CAPIK3R1MAPKAPK2PIK3CDBUB1
SCHEMBL16162228 0.86 PIK3CA (0.36) PIK3CAPIK3R1MAPKAPK2PIK3CDBUB1
SCHEMBL3751951 0.86 PIK3CA (0.36) PIK3CAPIK3R1MAPKAPK2PIK3CDBUB1
SCHEMBL3754902 0.86 PSMB8 (0.35) PIK3CAMAPKAPK2PIK3CDBUB1PSMB8

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 PIK3CA 3/4885PIK3R1 170/4885MAPKAPK2 53/4885

“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.