SCHEMBL3766754

SCHEMBL3766754

CN(C)CCN(C)C(=O)c1cccc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)CC4=O)ccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.36
PIK3CG P48736 6/20 0.36
MTOR P42345 5/20 0.36
PARP1 P09874 1/20 0.36
ATR Q13535 2/20 0.34
LRRK2 Q5S007 1/20 0.34
BUB1 O43683 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
JMJD6 Q6NYC1 1/20 0.33
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 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
Formic Acid SCHEMBL16161944 0.97 MTOR (0.35) PIK3CAPIK3CGMTORPARP1ATR
SCHEMBL3764711 0.94 AOC3 (0.35) PIK3CAPIK3CGMTORATRLRRK2
SCHEMBL3761442 0.93 MTOR (0.38) PIK3CAPIK3CGMTORATRLRRK2
SCHEMBL3762316 0.91 LRRK2 (0.41) PIK3CAPIK3CGMTORATRLRRK2
SCHEMBL3767645 0.90 ALDH1A1 (0.38) PIK3CAPIK3CGMTORLRRK2BUB1
SCHEMBL3762510 0.89 PRKD1 (0.41) PIK3CAPIK3CGMTORKDM1AHDAC1
SCHEMBL3759043 0.88 MTOR (0.38) PIK3CAPIK3CGMTORATRLRRK2
SCHEMBL3761577 0.87 PRKDC (0.42) PIK3CAPIK3CGBUB1JMJD6KDM1A
SCHEMBL3762759 0.87 PRKDC (0.40) PIK3CAPIK3CGBUB1JMJD6KDM1A
SCHEMBL3760897 0.86 STK4 (0.43) PIK3CAPIK3CGATRLRRK2BUB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CA 3/4885PIK3CG 12/4885MTOR 7/4885

“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.