Sugi Predict

Sugi Predict / Compounds / SCHEMBL1828405

SCHEMBL1828405

SCHEMBL1828405

CC(C)(C)c1nccc(N)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 7/20 0.37
▸ NOS2 P35228 7/20 0.37
▸ NOS1 P29475 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ NUDT1 P36639 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.34
▸ SCN9A Q15858 3/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2B P29275 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 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
SCHEMBL30041346 0.83 NOS3 (0.34) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL23649498 0.83 NOS3 (0.39) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL14926090 0.83 NOS3 (0.34) NOS3NOS2NOS1KDM4EMEN1
Bromide SCHEMBL23649800 0.78 NUDT1 (0.32) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL1420222 0.77 NOS3 (0.47) NOS3NOS2KDM4EKMT2AALOX5AP
SCHEMBL27691144 0.77 SCN9A (0.38) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL23649802 0.75 HCRTR1 (0.31) NUDT1
SCHEMBL279200 0.74 SYK (0.39) ADORA2AADORA1
SCHEMBL790845 0.74 UHRF1 (0.36) KMT2AADORA2AADORA1
SCHEMBL24965477 0.74 ADORA2A (0.36) NUDT1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-115279771-B MAP4K1 inhibitors 缆图药品公司 2025-03-21 — — CN disclosed
US-20240336630-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORP (US) 2024-10-10 — — US disclosed
US-12042495-B2 MAP4K1 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2024-07-23 — — US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 — — US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 — — US disclosed
EP-4269399-A1 FIVE-MEMBERED RING DERIVATIVE AND MEDICAL USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-01 — — EP disclosed
US-20230140954-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-11 — — US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 — — US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 — — US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 — — US disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 — — US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 — — 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 (7 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-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 NOS3 1103/4885NOS2 1530/4885NOS1 1250/4885
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 NOS3 982/4885NOS2 1274/4885NOS1 535/4885
US-20240336630-A1 MAP4K1 INHIBITORS MAP4K1, MAP4K4, MAP4K2 NOS3 2122/4885NOS2 2718/4885NOS1 2226/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 NOS3 1568/4885NOS2 1488/4885NOS1 1583/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 NOS3 1210/4885NOS2 1611/4885NOS1 2110/4885
US-20230140954-A1 MAP4K1 INHIBITORS MAP4K1, MAP4K4, MAP4K2 NOS3 1991/4885NOS2 2553/4885NOS1 2049/4885
US-12042495-B2 MAP4K1 inhibitors MAP4K1, MAP4K4, MAP4K2 NOS3 1991/4885NOS2 2553/4885NOS1 2049/4885

“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.