SCHEMBL1318196

SCHEMBL1318196

N#Cc1ccc(-c2cc(NCc3ccccc3Cl)nc(N)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CYP11B2 P19099 5/20 0.43
CYP11B1 P15538 4/20 0.43
VCP P55072 1/20 0.42
GPR39 O43194 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
PFKFB3 Q16875 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL13354782 0.86 HRH4 (0.49) HRH4HRH3VCPGPR39ALDH1A1
SCHEMBL1317062 0.85 SMN1; SMN2 (0.55) HRH4CYP11B2CYP11B1ALDH1A1KDM4E
SCHEMBL1316983 0.80 AURKA (0.53) HRH4CYP11B2CYP11B1TLR8
SCHEMBL1317568 0.79 HRH4 (0.52) HRH4CYP11B2CYP11B1SMN1; SMN2TLR8
SCHEMBL1319160 0.77 AURKA (0.54) HRH4CYP11B2CYP11B1
SCHEMBL1319289 0.75 CYP11B2 (0.60) CYP11B2CYP11B1KDM4E
SCHEMBL1317276 0.75 CYP11B2 (0.68) CYP11B2CYP11B1KDM4EHSD17B10
SCHEMBL1317288 0.74 KDM1A (0.42) CYP11B2CYP11B1
SCHEMBL1318157 0.74 PDPK1 (0.66) HRH4HRH3
SCHEMBL1318209 0.74 CYP11B2 (0.47) 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
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 HRH4 677/4885HRH3 1496/4885CYP11B2 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.