Sugi Predict

Sugi Predict / Compounds / SCHEMBL2654838

SCHEMBL2654838

SCHEMBL2654838

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GBA1 P04062 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ SSTR4 P31391 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ RECQL P46063 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ AAK1 Q2M2I8 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
SCHEMBL29854904 1.00 RAB9A (0.47) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL22548967 0.93 ALDH1A1 (0.44) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL6615642 0.89 RAB9A (0.41) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL6615113 0.87 ALDH1A1 (0.40) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL1181429 0.86 GBA1 (0.42) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL29827507 0.86 GBA1 (0.42) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL2031522 0.83 SYK (0.38) RAB9AALDH1A1NPC1KMT2AMAPT
SCHEMBL1180593 0.82 GBA1 (0.50) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL21612859 0.81 GBA1 (0.39) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL6018932 0.81 SYK (0.37) RAB9AALDH1A1KDM4ESSTR4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 — — US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 — — US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
CN-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 — — CN disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 — — WO disclosed
CN-111333627-A Substituted 2-hydro-pyrazole derivatives as anti-cancer agents 正大天晴药业集团股份有限公司 2020-06-26 — — CN disclosed
EP-2874632-B1 TRIAZINE COMPOUND HAVING PI3K-ALPHA AND MTOR INHIBITING ACTIVITY SPHAERA PHARMA PTE LTD (SG) 2020-06-17 — — EP disclosed
EP-3269715-B1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2020-05-13 — — EP disclosed
CN-107428731-B Substituted 2-hydro-pyrazole derivatives as anti-cancer agents 正大天晴药业集团股份有限公司 2020-05-05 — — CN disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 — — US disclosed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 — — EP disclosed
US-7262196-B2 Tri(cyclo) substituted amide glucokinase activator compounds PROSIDION LIMITED (GB) 2007-08-28 — — US disclosed
EP-1594863-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS Prosidion Limited (GB) 2005-11-16 — — EP disclosed
US-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds OSI PHARMACEUTICALS, INC. 2004-09-23 — — US disclosed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 — — WO disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 — — US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 — — US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 — — EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 — — 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RAB9A 1375/4885ALDH1A1 4541/4885NPC1 1175/4885
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 RAB9A 1171/4885ALDH1A1 3791/4885NPC1 999/4885
US-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds GCKR, GCK, GALK1 RAB9A 4157/4885ALDH1A1 2267/4885NPC1 2784/4885

“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.