SCHEMBL3754789

SCHEMBL3754789

CN(C)C(=O)c1cccc(-c2cc(-c3c(N4CCOCC4)sc4c3CCCC4=O)ccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
FYN P06241 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MTOR P42345 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
HSD17B10 Q99714 2/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL3762316 0.87 LRRK2 (0.41) LRRK2ATRATRIPSMN1; SMN2FYN
SCHEMBL3765770 0.86 AOC3 (0.37) MTORPIK3CAJAK2KDM1AHDAC1
SCHEMBL3759120 0.85 PARP1 (0.39) ATRATRIPMTORPIK3CACLK4
SCHEMBL3761312 0.83 LRRK2 (0.41) LRRK2ATRATRIPSMN1; SMN2FYN
SCHEMBL3763707 0.81 BMPR1B (0.37) ATRALDH1A1MTORPIK3CASCN9A
SCHEMBL3754629 0.81 BMPR1B (0.37) ATRALDH1A1MTORPIK3CASCN9A
SCHEMBL3759043 0.80 MTOR (0.38) LRRK2ATRATRIPALDH1A1MTOR
SCHEMBL3761442 0.80 MTOR (0.38) LRRK2ATRATRIPALDH1A1MTOR
SCHEMBL3761949 0.80 HSD17B10 (0.42) LRRK2ATRATRIPALDH1A1MTOR
SCHEMBL3765101 0.79 PIK3CA (0.38) LRRK2ATRATRIPSMN1; SMN2FYN

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 LRRK2 368/4885ATR 540/4885ATRIP 1252/4885

“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.