SCHEMBL29980916

SCHEMBL29980916

COCCN(C)c1cc(N)c(N)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.40
▸ DGAT1 O75907 8/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ BRAF P15056 1/20 0.32

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
SCHEMBL13455116 1.00 ADK (0.40) ADKDGAT1GPBAR1LRRK2HSP90AA1
SCHEMBL12686705 0.80 ALDH1A1 (0.45) ADKDGAT1GPBAR1
SCHEMBL29980777 0.80 ALDH1A1 (0.45) ADKDGAT1GPBAR1
SCHEMBL2789944 0.78 ADK (0.40) ADKDGAT1GPBAR1LRRK2HSP90AA1
SCHEMBL21318032 0.78 AR (0.49) HRH3
SCHEMBL701733 0.77 ADK (0.47) ADKDGAT1GPBAR1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL3137268 0.75 ADK (0.46) ADKDGAT1GPBAR1HSP90AA1HSP90AB1
SCHEMBL882478 0.72 DGAT1 (0.38) ADKDGAT1GPBAR1LRRK2HSP90AA1
SCHEMBL24552968 0.72 UHRF1 (0.38) CYP3A4
SCHEMBL15114894 0.71 LRRK2 (0.43) ADKDGAT1GPBAR1LRRK2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12551490-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2026-02-17 — — US disclosed
US-20240400552-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2024-12-05 — — US disclosed
US-20230405016-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2023-12-21 — — US disclosed
US-11622968-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2023-04-11 — — US disclosed
US-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-10-27 — — US disclosed
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-09-22 — — 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 (6 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-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 ADK 857/4885DGAT1 30/4885GPBAR1 342/4885
US-20230405016-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 ADK 799/4885DGAT1 25/4885GPBAR1 282/4885
US-20240400552-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 ADK 857/4885DGAT1 30/4885GPBAR1 342/4885
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD ADK 820/4885DGAT1 29/4885GPBAR1 319/4885
US-12551490-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 ADK 1933/4885DGAT1 36/4885GPBAR1 172/4885
US-11622968-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD ADK 820/4885DGAT1 29/4885GPBAR1 319/4885

“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.

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