SCHEMBL3767645

SCHEMBL3767645

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MTOR P42345 1/20 0.37
PIK3CD O00329 3/20 0.37
LRRK2 Q5S007 3/20 0.36
JMJD6 Q6NYC1 1/20 0.36
BUB1 O43683 1/20 0.35
PIK3CA P42336 3/20 0.35
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
RORC P51449 1/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
PRKDC P78527 1/20 0.34
SCN9A Q15858 1/20 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
SCHEMBL3761442 0.93 MTOR (0.38) ALDH1A1MTORPIK3CDLRRK2JMJD6
SCHEMBL3762316 0.92 LRRK2 (0.41) ALDH1A1MTORPIK3CDLRRK2JMJD6
SCHEMBL3766754 0.90 PIK3CA (0.36) ALDH1A1MTORPIK3CDLRRK2JMJD6
SCHEMBL3756709 0.89 PIK3CA (0.47) ALDH1A1MTORPIK3CDJMJD6PIK3CA
SCHEMBL3762759 0.89 PRKDC (0.40) ALDH1A1PIK3CDJMJD6BUB1PIK3CA
SCHEMBL3761577 0.89 PRKDC (0.42) ALDH1A1PIK3CDJMJD6BUB1PIK3CA
SCHEMBL3759043 0.89 MTOR (0.38) ALDH1A1MTORPIK3CDLRRK2JMJD6
SCHEMBL3764711 0.88 AOC3 (0.35) ALDH1A1MTORPIK3CDLRRK2JMJD6
SCHEMBL3760897 0.88 STK4 (0.43) ALDH1A1PIK3CDLRRK2JMJD6BUB1
SCHEMBL3759040 0.88 BRD4 (0.36) ALDH1A1PIK3CDLRRK2JMJD6BUB1

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 ALDH1A1 3061/4885MTOR 7/4885PIK3CD 9/4885

“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.