SCHEMBL1317045

SCHEMBL1317045

N#Cc1ccc(-c2cc(NC3CCCC3)nc(N)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
PDPK1 O15530 1/20 0.55
TGFBR1 P36897 1/20 0.55
ROCK1 Q13464 1/20 0.55
AURKB Q96GD4 1/20 0.55
NUDT1 P36639 2/20 0.45
KDM1A O60341 4/20 0.44
CHUK O15111 1/20 0.43
CYP11B2 P19099 7/20 0.43
CYP11B1 P15538 6/20 0.43
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL1318061 0.99 AURKA (0.54) AURKAPDPK1TGFBR1ROCK1AURKB
SCHEMBL12122741 0.83 AURKA (0.60) AURKAPDPK1TGFBR1ROCK1AURKB
SCHEMBL1317288 0.83 KDM1A (0.42) KDM1ACHUKCYP11B2CYP11B1
SCHEMBL1317083 0.80 AURKA (0.53) AURKAPDPK1TGFBR1AURKBKDM1A
SCHEMBL1317203 0.79 PFKFB3 (0.48) KDM1ACYP11B2CYP11B1
SCHEMBL1316983 0.78 AURKA (0.53) AURKAPDPK1TGFBR1AURKBKDM1A
SCHEMBL1318209 0.78 CYP11B2 (0.47) KDM1ACHUKCYP11B2CYP11B1
SCHEMBL1319160 0.77 AURKA (0.54) AURKAPDPK1TGFBR1ROCK1AURKB
SCHEMBL15757720 0.75 AURKA (0.61) AURKAPDPK1TGFBR1ROCK1AURKB
SCHEMBL1317062 0.74 SMN1; SMN2 (0.55) ROCK1CHUKCYP11B2CYP11B1HRH4

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 8 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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP 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 AURKA 298/4885PDPK1 12/4885TGFBR1 1687/4885

“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.