SCHEMBL26046449

SCHEMBL26046449

CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(I)c(C(=O)Nc3cnn(CCOC)c3)cc21

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 20/20 0.58

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
SCHEMBL26046760 0.93 ACSS2 (0.60) ACSS2
SCHEMBL26046435 0.92 ACSS2 (0.69) ACSS2
SCHEMBL26046445 0.91 ACSS2 (0.58) ACSS2
SCHEMBL25367344 0.91 ACSS2 (0.58) ACSS2
SCHEMBL25366966 0.91 ACSS2 (0.65) ACSS2
SCHEMBL25366507 0.85 ACSS2 (0.67) ACSS2
SCHEMBL23843549 0.83 ACSS2 (0.61) ACSS2
SCHEMBL25368422 0.83 ACSS2 (0.60) ACSS2
SCHEMBL25367095 0.83 ACSS2 (0.60) ACSS2
SCHEMBL25367850 0.82 ACSS2 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — 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 (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 201/4885

“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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