SCHEMBL3756183

SCHEMBL3756183

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(NC5CCN(C(=O)O)C5)c4)c3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 2/20 0.37
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
PTPN1 P18031 3/20 0.33
SYK P43405 3/20 0.33
ALDH1A1 P00352 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
LRRK2 Q5S007 1/20 0.32
TYK2 P29597 1/20 0.32
HCRTR1 O43613 1/20 0.32
JAK1 P23458 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL3759022 1.00 BUB1 (0.37) BUB1NPC1RAB9APTPN1SYK
SCHEMBL3761348 1.00 BUB1 (0.37) BUB1NPC1RAB9APTPN1SYK
SCHEMBL3758952 0.91 CYP2C19 (0.38) BUB1NPC1ALDH1A1BTK
SCHEMBL3765032 0.87 MAPK14 (0.36) BUB1NPC1RAB9AALDH1A1JAK2
SCHEMBL3765051 0.87 BUB1 (0.40) BUB1NPC1RAB9A
SCHEMBL3761429 0.86 CBLB (0.36) BUB1SYKJAK2HCRTR1BTK
SCHEMBL3760495 0.86 IRAK4 (0.39) BUB1SYK
SCHEMBL3766813 0.86 IRAK4 (0.39) BUB1SYK
SCHEMBL3763199 0.86 IRAK4 (0.39) BUB1SYK
SCHEMBL3760371 0.85 BMPR1B (0.39) BUB1SYKJAK2

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 BUB1 565/4885NPC1 3855/4885RAB9A 713/4885

“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.