SCHEMBL23843515

SCHEMBL23843515

CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2ccc(C(=O)Nc3ncn(CC)n3)cc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 16/20 0.56
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL30640954 1.00 ACSS2 (0.56) ACSS2ALDH1A1CYP2C9CYP2C19NLRP3
SCHEMBL26044502 0.88 ACSS2 (0.71) ACSS2ALDH1A1CYP2C9CYP2C19NLRP3
SCHEMBL26047022 0.87 ACSS2 (0.47) ACSS2ALDH1A1CYP2C9CYP2C19NLRP3
SCHEMBL23843514 0.85 ACSS2 (0.65) ACSS2ALDH1A1CYP2C9CYP2C19GLA
SCHEMBL30640950 0.85 ACSS2 (0.65) ACSS2ALDH1A1CYP2C9CYP2C19GLA
SCHEMBL23843491 0.84 ACSS2 (0.79) ACSS2ALDH1A1CYP2C9CYP2C19NLRP3
SCHEMBL30640961 0.84 ACSS2 (0.79) ACSS2ALDH1A1CYP2C9CYP2C19NLRP3
SCHEMBL23832307 0.84 ACSS2 (0.64) ACSS2ALDH1A1GLAALOX15
SCHEMBL25367861 0.81 ACSS2 (0.40) ACSS2
SCHEMBL17263158 0.79 ACSS2 (0.66) ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — US disclosed
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — US disclosed
WO-2021185789-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2021-09-23 — — 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 (1 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-20230271956-A1 AMIDE DERIVATIVES BRCA1, HRAS, PCNA ACSS2 201/4885ALDH1A1 1250/4885CYP2C9 4839/4885

“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.

Send feedback