Sugi Predict

Sugi Predict / Compounds / SCHEMBL1325820

SCHEMBL1325820

SCHEMBL1325820

CC(N)c1cc(Cl)c2ccnn2c1-c1cccc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ BCL2 P10415 1/20 0.32

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
SCHEMBL1324598 0.78 LCK (0.38) PTGS2CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1324832 0.77 PDE4B (0.39) PTGS2GRIN2BKDM4CKDM5AKDM5B
SCHEMBL18817209 0.77 PTGS2 (0.36) PTGS2CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1325653 0.76 PIK3CD (0.49) BCL2
SCHEMBL12285065 0.76 GRIN2B (0.35) PTGS2GRIN2BALDH1A1EGLN2KDM4C
SCHEMBL1324522 0.76 KDM4C (0.43) ALDH1A1KDM4CKDM5AKDM5BKDM4E
SCHEMBL1325392 0.75 GRIA1 (0.36) PTGS2CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1324537 0.74 MAPK14 (0.41) GRIN2BALDH1A1KDM4CKDM5AKDM5B
SCHEMBL1325440 0.71 TRPM8 (0.45) PTGS2GRIN2BKDM4CKDM5AKDM5B
SCHEMBL18817292 0.69 DHFR (0.34) PTGS2GRIN2BTP53TGFBR1

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 PTGS2 1828/4885CYP1A2 4010/4885CYP3A4 3399/4885

“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.