Sugi Predict

Sugi Predict / Compounds / SCHEMBL1325329

SCHEMBL1325329

SCHEMBL1325329

COC(=O)c1cc(F)c2cncn2c1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ LCK P06239 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 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
SCHEMBL1325630 0.89 LCK (0.43) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL1324790 0.87 TRPM8 (0.38) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL1325748 0.87 DCLRE1B (0.41) CSNK1DGSK3AGSK3BDYRK1AAURKB
SCHEMBL1324756 0.85 TRPM8 (0.45) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL1325671 0.76 GRIN2B (0.39) LCKKDM4CGRIN2B
SCHEMBL18817207 0.75 LCK (0.44) LCKALDH1A1KDM4EHPGDMAPK1
SCHEMBL1325539 0.75 DCLRE1B (0.40) CSNK1DGSK3AGSK3BDYRK1AAURKB
SCHEMBL1324749 0.75 TRPM8 (0.44) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL1324770 0.73 TRPM8 (0.40) CSNK1DLCKKDM4CGRIN2B
SCHEMBL1325441 0.73 LCK (0.40) LCKBRD9GRIN2B

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 RPS6KB1 150/4885CSNK1D 685/4885GSK3A 109/4885

“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.