SCHEMBL1319583

SCHEMBL1319583

CNc1nc(Cl)cc(N2CC(C(=O)NCc3ccccc3)CC2C)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CACNA1G O43497 3/20 0.42
CACNA1H O95180 3/20 0.42
CACNA1I Q9P0X4 3/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
PDPK1 O15530 1/20 0.39
ROCK1 Q13464 1/20 0.39
AURKB Q96GD4 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PANK3 Q9H999 1/20 0.39

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
SCHEMBL1319051 1.00 EPHX2 (0.48) EPHX2LMNAHTTSMN1; SMN2CACNA1G
SCHEMBL1319582 1.00 EPHX2 (0.48) EPHX2LMNAHTTSMN1; SMN2CACNA1G
SCHEMBL1317877 0.91 EPHX2 (0.49) EPHX2LMNAHTTSMN1; SMN2CACNA1G
SCHEMBL1317848 0.83 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317851 0.83 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317853 0.83 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL13354835 0.80 PDPK1 (0.49) EPHX2LMNAHTTSMN1; SMN2PDPK1
SCHEMBL1318312 0.79 PDPK1 (0.44) EPHX2LMNAHTTSMN1; SMN2PDPK1
SCHEMBL1319325 0.78 PDPK1 (0.69) PDPK1ROCK1AURKB
SCHEMBL1319439 0.77 PDPK1 (0.51) EPHX2LMNAHTTCACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 EPHX2 4071/4885LMNA 4686/4885HTT 4020/4885

“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.