SCHEMBL3756092

SCHEMBL3756092

CN(C)C(=O)c1cc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)CC4=O)ccn2)cc([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.33
LRRK2 Q5S007 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
BUB1 O43683 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3757686 0.89 LMNA (0.34) ATRLRRK2ATRIPLMNACYP3A4
SCHEMBL3764769 0.89 LMNA (0.34) ATRLRRK2ATRIPLMNACYP3A4
SCHEMBL3762316 0.89 LRRK2 (0.41) ATRLRRK2ATRIPLMNACYP3A4
SCHEMBL3761949 0.88 HSD17B10 (0.42) ATRLRRK2ATRIPLMNACYP3A4
SCHEMBL3765101 0.82 PIK3CA (0.38) ATRLRRK2ATRIPLMNACYP3A4
SCHEMBL3762759 0.82 PRKDC (0.40) LMNAHSD17B10PIK3CDPIK3CAPIK3CB
SCHEMBL3761577 0.82 PRKDC (0.42) LMNAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3759043 0.82 MTOR (0.38) ATRLRRK2ATRIPPIK3CDPIK3CA
SCHEMBL3761442 0.82 MTOR (0.38) ATRLRRK2ATRIPLMNACYP3A4
SCHEMBL3751914 0.82 PIK3CA (0.38) LMNAHSD17B10PIK3CDPIK3CAPIK3CB

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 ATR 540/4885LRRK2 368/4885ATRIP 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.