SCHEMBL1317062

SCHEMBL1317062

N#Cc1ccc(-c2cc(NCc3ccccc3)nc(N)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
GPR68 Q15743 2/20 0.48
HRH4 Q9H3N8 5/20 0.48
CHUK O15111 1/20 0.47
CLK4 Q9HAZ1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PIK3CB P42338 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRKACA P17612 1/20 0.44
CDK8 P49336 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL1317568 0.89 HRH4 (0.52) SMN1; SMN2CYP11B1CYP11B2HRH4TLR8
SCHEMBL1318196 0.85 HRH4 (0.48) SMN1; SMN2CYP11B1CYP11B2HRH4ALDH1A1
SCHEMBL13354772 0.85 SMN1; SMN2 (0.61) SMN1; SMN2GPR68HRH4PIK3CBTLR8
SCHEMBL1316983 0.84 AURKA (0.53) CYP11B1CYP11B2HRH4TLR8
SCHEMBL1319160 0.83 AURKA (0.54) CYP11B1CYP11B2HRH4CHUKCYP1A2
SCHEMBL1319984 0.82 CYP11B2 (0.45) CYP11B1CYP11B2HRH4TLR8
SCHEMBL1319064 0.81 CYP11B2 (0.44) CYP11B1CYP11B2HRH4
SCHEMBL1317276 0.81 CYP11B2 (0.68) CYP11B1CYP11B2HSD17B10KDM4E
SCHEMBL15757390 0.79 HRH4 (0.74) SMN1; SMN2HRH4PIK3CBTLR8
SCHEMBL1317288 0.78 KDM1A (0.42) CYP11B1CYP11B2CHUK

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 SMN1; SMN2 4444/4885CYP11B1 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.