SCHEMBL3754780

SCHEMBL3754780

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.45
BRAF P15056 2/20 0.43
LRRK2 Q5S007 1/20 0.42
BUB1 O43683 3/20 0.41
JAK2 O60674 3/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
PIK3CA P42336 2/20 0.40
PIP5K1C O60331 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
MTOR P42345 1/20 0.39
JAK3 P52333 2/20 0.39
TYK2 P29597 1/20 0.39
JAK1 P23458 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
SCHEMBL3766528 0.92 PRKDC (0.52) PRKDCBRAFBUB1NPC1RAB9A
SCHEMBL3756839 0.91 JAK2 (0.45) PRKDCLRRK2BUB1JAK2PIK3CA
SCHEMBL3761577 0.91 PRKDC (0.42) PRKDCBUB1NPC1RAB9APIK3CA
SCHEMBL3759356 0.89 GAK (0.38) PRKDCBUB1JAK2NPC1RAB9A
SCHEMBL3762759 0.88 PRKDC (0.40) PRKDCBUB1NPC1RAB9APIK3CA
SCHEMBL3764901 0.88 PIK3CA (0.41) BRAFLRRK2BUB1JAK2NPC1
SCHEMBL3762181 0.87 PIK3R1 (0.37) LRRK2BUB1JAK2NPC1RAB9A
SCHEMBL3760897 0.87 STK4 (0.43) PRKDCLRRK2BUB1PIK3CAATR
SCHEMBL3761533 0.87 KDM1A (0.40) BUB1JAK2PIK3CAMTOR
SCHEMBL3760222 0.87 PIK3CA (0.45) PRKDCBUB1PIK3CAMTOR

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 112/4885BRAF 20/4885LRRK2 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.