Sugi Predict

Sugi Predict / Compounds / SCHEMBL3132769

SCHEMBL3132769

SCHEMBL3132769

CC1(C)OB(c2ccc3[nH]c(N)nc3c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MASP2 O00187 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ LPL P06858 8/20 0.39
▸ LIPG Q9Y5X9 8/20 0.39
▸ PLAU P00749 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL30016416 1.00 FABP6 (0.42) FABP6ALDH1A1MASP2MEN1NUDT1
SCHEMBL3831957 0.88 PLAU (0.47) FABP6ALDH1A1MASP2MEN1NUDT1
SCHEMBL19965243 0.84 LPL (0.40) ALDH1A1MEN1KMT2ALPLLIPG
SCHEMBL28483833 0.82 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL16655694 0.82 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL13201515 0.80 DDAH1 (0.46) LPLLIPGSNCAIRAK4F11
SCHEMBL14658441 0.79 NPSR1 (0.45) ALDH1A1LPLLIPGSNCAIRAK4
SCHEMBL16062202 0.78 LPL (0.51) ALDH1A1MEN1KMT2ALPLLIPG
SCHEMBL15746286 0.76 NPC1 (0.47) MEN1KMT2ALPLLIPG
SCHEMBL14250363 0.76 LPL (0.47) KMT2ALPLLIPG

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 — — US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 — — EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 — — EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-20230079863-A1 KHK INHIBITORS GILEAD SCIENCES, INC. 2023-03-16 — — US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 — — US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 — — US disclosed
EP-3313828-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 — — EP disclosed
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — WO disclosed
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof INTELLIKINE LLC 2016-03-31 — — US disclosed
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 — — US disclosed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 — — WO disclosed
EP-1713793-A4 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-09-02 — — EP disclosed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 — — US disclosed
EP-1713793-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS Smithkline Beecham Corporation (US) 2006-10-25 — — EP disclosed
WO-2005076854-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 — — 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 (8 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-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 FABP6 233/4885ALDH1A1 700/4885MASP2 3380/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX FABP6 4072/4885ALDH1A1 310/4885MASP2 718/4885
US-20230079863-A1 KHK INHIBITORS KHK, KHDRBS1, NADK FABP6 4202/4885ALDH1A1 1520/4885MASP2 1316/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX FABP6 4071/4885ALDH1A1 319/4885MASP2 722/4885
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof MTOR, PIK3CA, AKT1 FABP6 4337/4885ALDH1A1 4335/4885MASP2 3040/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK FABP6 4202/4885ALDH1A1 1520/4885MASP2 1316/4885
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HIPK3, HIPK1, HIPK2 FABP6 3893/4885ALDH1A1 3549/4885MASP2 2950/4885
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, MAPKAP1 FABP6 4492/4885ALDH1A1 3880/4885MASP2 3873/4885

“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.