SCHEMBL1318233

SCHEMBL1318233

N#Cc1ccc(-c2cc(N3CCCC3C(F)(F)F)nc(N)n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.45
CYP11B1 P15538 6/20 0.45
KDM1A O60341 7/20 0.44
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 1/20 0.40
AURKB Q96GD4 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
MTOR P42345 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL1318609 0.86 CYP11B2 (0.44) CYP11B2CYP11B1KDM1AMTOR
SCHEMBL1317296 0.83 KDM1A (0.47) CYP11B2CYP11B1KDM1AHRH4HRH3
SCHEMBL1317086 0.80 HRH4 (0.53) CYP11B2CYP11B1KDM1AHRH4HRH3
SCHEMBL1319657 0.80 CYP11B1 (0.62) CYP11B2CYP11B1KDM1AHRH4HRH3
SCHEMBL1317636 0.79 CYP11B1 (0.64) CYP11B2CYP11B1KDM1AHRH4HRH3
SCHEMBL1318326 0.79 CYP11B1 (0.64) CYP11B2CYP11B1KDM1AHRH4HRH3
SCHEMBL12122325 0.78 KDM1A (0.51) CYP11B2CYP11B1KDM1AHRH4HRH3
SCHEMBL2447251 0.77 KDM1A (0.49) CYP11B2CYP11B1KDM1APDPK1TGFBR1
SCHEMBL1317131 0.77 KDM1A (0.49) CYP11B2CYP11B1KDM1APDPK1TGFBR1
SCHEMBL1319739 0.76 PDPK1 (0.69) PDPK1TGFBR1AURKB

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 9 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
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 634/4885KDM1A 1582/4885

“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.