SCHEMBL23843514

SCHEMBL23843514

CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(C)c(C(=O)Nc3ncn(CC)n3)cc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 14/20 0.65
▸ GLA P06280 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPT P10636 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL30640950 1.00 ACSS2 (0.65) ACSS2GLAALOX15MAPTTNF
SCHEMBL23843491 0.91 ACSS2 (0.79) ACSS2GLAALOX15MAPTALDH1A1
SCHEMBL30640961 0.91 ACSS2 (0.79) ACSS2GLAALOX15MAPTALDH1A1
SCHEMBL23832307 0.90 ACSS2 (0.64) ACSS2GLAALOX15MAPTKMT2A
SCHEMBL26046982 0.89 ACSS2 (0.56) ACSS2GLAALOX15MAPTKMT2A
SCHEMBL23843515 0.85 ACSS2 (0.56) ACSS2GLAALOX15ALDH1A1CYP2C9
SCHEMBL30640954 0.85 ACSS2 (0.56) ACSS2GLAALOX15ALDH1A1CYP2C9
SCHEMBL26047003 0.82 ACSS2 (0.54) ACSS2GLAALOX15MAPTKMT2A
SCHEMBL26046975 0.82 ACSS2 (0.65) ACSS2GLAALOX15ALDH1A1
SCHEMBL25367234 0.81 ACSS2 (0.43) ACSS2ALDH1A1

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 201/4885GLA 1335/4885ALOX15 2890/4885

“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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