SCHEMBL1319984

SCHEMBL1319984

CC(C)(Cc1ccccc1)Nc1cc(-c2ccc(C#N)c(F)c2)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.45
CYP11B1 P15538 12/20 0.45
HRH4 Q9H3N8 2/20 0.39
ADORA2A P29274 2/20 0.37
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL12122749 0.86 HRH4 (0.42) HRH4ADORA2ATLR8
SCHEMBL1318209 0.84 CYP11B2 (0.47) CYP11B2CYP11B1
SCHEMBL1317062 0.82 SMN1; SMN2 (0.55) CYP11B2CYP11B1HRH4TLR8
SCHEMBL1317568 0.81 HRH4 (0.52) CYP11B2CYP11B1HRH4ADORA2ATLR8
SCHEMBL1319160 0.79 AURKA (0.54) CYP11B2CYP11B1HRH4
SCHEMBL2505744 0.78 ADORA1 (0.42) CYP11B2CYP11B1ADORA2A
SCHEMBL1316983 0.77 AURKA (0.53) CYP11B2CYP11B1HRH4TLR8
SCHEMBL1319064 0.77 CYP11B2 (0.44) CYP11B2CYP11B1HRH4ADORA2A
SCHEMBL1317276 0.77 CYP11B2 (0.68) CYP11B2CYP11B1ADORA2A
SCHEMBL1317083 0.75 AURKA (0.53) CYP11B2CYP11B1

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
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
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 CYP11B2 837/4885CYP11B1 634/4885HRH4 677/4885

“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.