SCHEMBL1317568

SCHEMBL1317568

N#Cc1ccc(-c2cc(NCCc3ccccc3)nc(N)n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.52
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
TLR8 Q9NR97 1/20 0.46
RPS27 P42677 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PTGDR Q13258 3/20 0.41
HRH1 P35367 1/20 0.41
ADORA2A P29274 1/20 0.40

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
SCHEMBL1317062 0.89 SMN1; SMN2 (0.55) HRH4CYP11B1CYP11B2TLR8SMN1; SMN2
SCHEMBL1316983 0.82 AURKA (0.53) HRH4CYP11B1CYP11B2TLR8
SCHEMBL1319160 0.81 AURKA (0.54) HRH4CYP11B1CYP11B2
SCHEMBL1319984 0.81 CYP11B2 (0.45) HRH4CYP11B1CYP11B2TLR8ADORA2A
SCHEMBL17407827 0.80 HRH4 (0.80) HRH4TLR8SMN1; SMN2HRH1ADORA2A
SCHEMBL1319064 0.80 CYP11B2 (0.44) HRH4CYP11B1CYP11B2ADORA2A
SCHEMBL1318196 0.79 HRH4 (0.48) HRH4CYP11B1CYP11B2TLR8SMN1; SMN2
SCHEMBL1317276 0.79 CYP11B2 (0.68) CYP11B1CYP11B2ADORA2A
SCHEMBL2510144 0.77 ADORA1 (0.44) CYP11B1CYP11B2RPS27SMN1; SMN2ADORA2A
SCHEMBL1317288 0.76 KDM1A (0.42) CYP11B1CYP11B2

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

“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.