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Sugi Predict / Compounds / SCHEMBL68598

SCHEMBL68598

SCHEMBL68598

Cc1cn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.34
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30

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
SCHEMBL20243084 0.85 DGAT1 (0.38) DGAT1GSK3AGSK3BFFAR1AAK1
SCHEMBL11968657 0.85 GSK3A (0.37) DGAT1GSK3AGSK3BFFAR1
SCHEMBL23247400 0.83 PTGDR2 (0.33) DGAT1
SCHEMBL17798379 0.83 GSK3A (0.38) DGAT1GSK3AGSK3BFFAR1BRD4
SCHEMBL2753473 0.83 DGAT1 (0.33) DGAT1GSK3AGSK3BFFAR1BRD4
SCHEMBL8443582 0.83 CHUK (0.33) DGAT1GSK3AGSK3BBRD4CREBBP
SCHEMBL4363112 0.82 ALOX5AP (0.34) DGAT1GSK3BBRD4CREBBP
SCHEMBL23248009 0.82 DGAT1 (0.32) DGAT1GSK3AGSK3BBRD4CREBBP
SCHEMBL3373452 0.81 KDR (0.36) DGAT1GSK3BBRD4CREBBP
SCHEMBL24566554 0.80 GSK3A (0.33) DGAT1GSK3AGSK3BAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021249913-A9 2'-(QUINOLIN-3-YL)-5',6'-DIHYDROSPIRO[AZETIDINE-3,4'-PYRROLO[1,2-B]PYRAZOLE]-1-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS MAP4K1 (HPK1) INHIBITORS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 — — WO disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 — — EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 — — 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS DGAT1 3367/4885GSK3A 1288/4885GSK3B 1075/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS DGAT1 2240/4885GSK3A 767/4885GSK3B 745/4885

“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.