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Sugi Predict / Compounds / SCHEMBL1325440

SCHEMBL1325440

SCHEMBL1325440

CON(C)C(=O)c1cc(Cl)c2ccnn2c1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.45
▸ TRPV1 Q8NER1 4/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL1324537 0.85 MAPK14 (0.41) TRPV1PDE4BPDE4APDE4CPDE4D
SCHEMBL1324832 0.83 PDE4B (0.39) TRPM8TRPV1PDE4BPDE4APDE4C
SCHEMBL1324522 0.82 KDM4C (0.43) PDE4BKDM4CKDM5AKDM5B
SCHEMBL1324749 0.82 TRPM8 (0.44) TRPM8GPBAR1GRIN2BPTGS2MAPK10
SCHEMBL18816871 0.81 TRPM8 (0.43) TRPM8GPBAR1GRIN2BPTGS2MAPK10
SCHEMBL12285065 0.80 GRIN2B (0.35) TRPM8TRPV1PDE4BPDE4APDE4C
SCHEMBL12122868 0.80 TRPM8 (0.44) TRPM8PDE4BPDE4DGPBAR1GRIN2B
Trifluoroacetic Acid SCHEMBL1324694 0.75 TRPM8 (0.40) TRPM8PDE4BPDE4APDE4CPDE4D
SCHEMBL18817032 0.73 NR1I3 (0.35) TRPM8GRIN2B
SCHEMBL1324756 0.73 TRPM8 (0.45) TRPM8TRPV1PDE4BGPBAR1GRIN2B

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
US-9193721-B2 Fused derivatives as PI3Kδ inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-24 — — US disclosed
US-9193721-B2 Fused derivatives as PI3Kδ inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-24 — — US disclosed
US-9193721-B2 Fused derivatives as PI3Kδ inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-24 — — US disclosed
EP-2558463-A1 FUSED DERIVATIVES AS I3 INHIBITORS Incyte Corporation (US) 2013-02-20 — — EP disclosed
US-20110281884-A1 FUSED DERIVATIVES AS PI3KDELTA INHIBITORS INCYTE CORPORATION 2011-11-17 — — US disclosed
US-20110281884-A1 FUSED DERIVATIVES AS PI3KDELTA INHIBITORS INCYTE CORPORATION 2011-11-17 — — US disclosed
WO-2011130342-A1 FUSED DERIVATIVES AS ΡI3Κδ INHIBITORS INCYTE CORPORATION (US) 2011-10-20 — — WO disclosed
WO-2011130342-A1 FUSED DERIVATIVES AS ΡI3Κδ INHIBITORS INCYTE CORPORATION (US) 2011-10-20 — — 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-20110281884-A1 FUSED DERIVATIVES AS PI3KDELTA INHIBITORS PIK3CD, PIK3CA, PIK3CB TRPM8 4703/4885TRPV1 4304/4885PDE4B 667/4885

“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.