SCHEMBL1318652

SCHEMBL1318652

CNc1nc(Cl)cc(N2C[C@H](C)C[C@@H](CN(C(=O)O)C(C)(C)C)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ EPHX2 P34913 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ HRH4 Q9H3N8 2/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL1320304 0.86 LMNA (0.41) AURKAPDPK1AURKBMAPTHRH4
SCHEMBL1318713 0.81 AURKA (0.43) AURKAPDPK1AURKBEPHX2CCNC
SCHEMBL16966456 0.81 KDM4E (0.34) AURKAPDPK1AURKBEPHX2CCNC
SCHEMBL16966457 0.78 AURKA (0.46) AURKAPDPK1AURKBEPHX2CCNC
SCHEMBL16966450 0.75 CCNC (0.38) AURKAPDPK1AURKBCCNCCDK8
SCHEMBL1318649 0.74 AURKA (0.35) AURKAPDPK1AURKBCCNCCDK8
SCHEMBL12119831 0.73 AURKA (0.51) AURKAPDPK1AURKB
SCHEMBL12119857 0.73 AURKA (0.62) AURKAPDPK1AURKBEPHX2CCNC
SCHEMBL4392402 0.72 LMNA (0.50) MAPTHRH4HRH3LMNA
SCHEMBL4400165 0.72 LMNA (0.50) MAPTHRH4HRH3LMNA

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-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

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 AURKA 298/4885PDPK1 12/4885AURKB 262/4885

“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.

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