SCHEMBL1318609

SCHEMBL1318609

CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2CCC[C@H]2C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.44
CYP11B1 P15538 10/20 0.44
KDM1A O60341 7/20 0.43
MTOR P42345 1/20 0.40
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL1317272 0.87 ADORA1 (0.34) KDM1A
SCHEMBL1318233 0.86 CYP11B2 (0.45) CYP11B2CYP11B1KDM1AMTOR
SCHEMBL1317860 0.81 ADORA1 (0.37) KDM1A
SCHEMBL1319135 0.81 PDPK1 (0.53) KDM1A
SCHEMBL1319134 0.81 PDPK1 (0.53) KDM1A
SCHEMBL1319137 0.81 PDPK1 (0.53) KDM1A
SCHEMBL1320953 0.81 KDM1A (0.52) CYP11B2CYP11B1KDM1A
SCHEMBL2523604 0.80 KDM1A (0.39) CYP11B2CYP11B1KDM1A
SCHEMBL1317332 0.80 PDPK1 (0.54) KDM1A
SCHEMBL1317328 0.80 PDPK1 (0.54) KDM1A

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
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.