SCHEMBL3761949

SCHEMBL3761949

CN(C)C(=O)c1ccc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)CC4=O)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LRRK2 Q5S007 1/20 0.40
ATR Q13535 2/20 0.38
ATRIP Q8WXE1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CA P42336 6/20 0.36
PIK3R1 P27986 5/20 0.36
MTOR P42345 3/20 0.36
TGFBR1 P36897 1/20 0.36
PIK3CD O00329 1/20 0.36

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 0.93 LRRK2 (0.41) HSD17B10LMNACYP3A4CYP2D6TSHR
SCHEMBL16161825 0.90 JAK2 (0.41) LMNALRRK2ATRATRIPALDH1A1
SCHEMBL3764769 0.90 LMNA (0.34) HSD17B10LMNACYP3A4CYP2D6TSHR
SCHEMBL3757686 0.90 LMNA (0.34) HSD17B10LMNACYP3A4CYP2D6TSHR
SCHEMBL3760600 0.89 HDAC1 (0.40) ALDH1A1PIK3CAPIK3R1MTORTGFBR1
SCHEMBL16161713 0.88 PIK3CD (0.38) HSD17B10ALDH1A1CYP1A2PIK3CAPIK3CD
SCHEMBL3759201 0.88 PIK3CD (0.39) LRRK2ALDH1A1PIK3CAPIK3CDPIK3CB
SCHEMBL3756092 0.88 ATR (0.33) HSD17B10LMNACYP3A4CYP2D6TSHR
SCHEMBL3758765 0.87 PIK3CA (0.40) HSD17B10LMNALRRK2ALDH1A1PIK3CA
SCHEMBL3762353 0.87 PIK3CD (0.39) TSHRPIK3CAPIK3R1MTORPIK3CD

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 HSD17B10 2922/4885LMNA 4870/4885CYP3A4 1613/4885

“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.