Sugi Predict

Sugi Predict / Compounds / SCHEMBL1221900

SCHEMBL1221900

SCHEMBL1221900

Nc1ccnc(C2CCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 9/20 0.39
▸ ALOX5AP P20292 7/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ MAP4K4 O95819 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 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
SCHEMBL30260114 1.00 FEN1 (0.39) FEN1ALOX5APBACE1KCNH2SCN5A
SCHEMBL1831010 0.96 BACE1 (0.41) FEN1ALOX5APBACE1KCNH2SCN5A
SCHEMBL23667387 0.94 BACE1 (0.44) FEN1ALOX5APBACE1KCNH2SCN5A
SCHEMBL1828291 0.92 SCN9A (0.42) FEN1ALOX5APBACE1KCNH2SCN5A
SCHEMBL23649699 0.85 MAP4K1 (0.41) FEN1ALOX5APKCNH2SCN5ASCN9A
SCHEMBL23649871 0.85 MAP4K1 (0.41) FEN1ALOX5APKCNH2SCN5ASCN9A
SCHEMBL23649999 0.85 MAP4K1 (0.41) FEN1ALOX5APKCNH2SCN5ASCN9A
SCHEMBL23649872 0.85 MAP4K1 (0.41) FEN1ALOX5APKCNH2SCN5ASCN9A
SCHEMBL23650060 0.85 MAP4K1 (0.41) FEN1ALOX5APKCNH2SCN5ASCN9A
SCHEMBL3567520 0.83 MKNK1 (0.44) —

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 — — EP claimed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 — — EP claimed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 — — US claimed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 — — EP claimed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — WO claimed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 — — US claimed
US-20240300946-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-09-12 — — US disclosed
CN-117940424-A EGFR inhibitors 缆图药品公司 2024-04-26 — — CN disclosed
WO-2022271630-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 — — WO disclosed
WO-2022271630-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 — — WO disclosed
CN-110467638-A A kind of double amino Chloropyrimide class compounds containing m-chloroaniline class substituent group, preparation method and applications BEIJING SAITE MINGQIANG MEDICINE TECH CO LTD 2019-11-19 — — CN disclosed
CN-110461842-A FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL 2019-11-15 — — CN disclosed
CN-109219609-A FUSED HEXACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB生物制药私人有限公司 2019-01-15 — — CN disclosed
US-20110039817-A1 4-AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS PALAU PHARMA, S.L.U. (ES) 2011-02-17 — — US disclosed
WO-2010121814-A1 PHARMACEUTICAL COMPOSITION, COMPRISING A STEROID-DEHYDROGENASE-REDUCTASE INHIBITOR, AND A MINERALOCORTICOID RECEPTOR ANTAGONIST ONTOCHEM GMBH (DE) 2010-10-28 — — WO disclosed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 — — EP disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 — — US disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 — — EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 — — US 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 (3 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-20110039817-A1 4-AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 FEN1 2607/4885ALOX5AP 1424/4885BACE1 4308/4885
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 FEN1 1389/4885ALOX5AP 1791/4885BACE1 434/4885
US-20240300946-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 FEN1 3322/4885ALOX5AP 4766/4885BACE1 4464/4885

“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.