SCHEMBL3754886

SCHEMBL3754886

CN(C(=O)Nc1cccc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)CC4=O)ccn2)c1)C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.36
BRD4 O60885 1/20 0.36
LRRK2 Q5S007 1/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
JAK2 O60674 5/20 0.34
JAK3 P52333 4/20 0.34
JAK1 P23458 4/20 0.34
TYK2 P29597 2/20 0.34
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
RIPK3 Q9Y572 1/20 0.34
BRAF P15056 1/20 0.33
PRKDC P78527 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
SCHEMBL3762181 0.90 PIK3R1 (0.37) BUB1BRD4LRRK2NPC1RAB9A
SCHEMBL3759356 0.87 GAK (0.38) BUB1NPC1RAB9AJAK2JAK3
SCHEMBL3754780 0.86 PRKDC (0.45) BUB1LRRK2NPC1RAB9AJAK2
SCHEMBL3763199 0.85 IRAK4 (0.39) BUB1
SCHEMBL3760495 0.85 IRAK4 (0.39) BUB1
SCHEMBL3766813 0.85 IRAK4 (0.39) BUB1
SCHEMBL3765051 0.83 BUB1 (0.40) BUB1BRD4NPC1RAB9APIK3CA
SCHEMBL3751656 0.83 PIM1 (0.40) BUB1JAK2
SCHEMBL3763585 0.82 ADORA2A (0.39) BUB1LRRK2PIK3CA
SCHEMBL3761577 0.82 PRKDC (0.42) BUB1NPC1RAB9APIK3CAPRKDC

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 565/4885BRD4 1041/4885LRRK2 368/4885

“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.