SCHEMBL26047373

SCHEMBL26047373

CCn1ncc(NC(=O)c2cc3c(nc2OC)nc(C(c2ccccc2)c2ccccc2)n3CC)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 5/20 0.46
▸ MAPK1 P28482 3/20 0.38
▸ RIPK1 Q13546 4/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CACNA1H O95180 4/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33

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
SCHEMBL26047508 0.85 ACSS2 (0.47) ACSS2MAPK1RIPK1CACNA1HMAP3K5
SCHEMBL26047502 0.85 ACSS2 (0.46) ACSS2MAPK1RIPK1MAP3K5
SCHEMBL26046870 0.84 ACSS2 (0.46) ACSS2RIPK1
SCHEMBL23843413 0.82 ACSS2 (0.67) ACSS2
SCHEMBL26047459 0.82 ACSS2 (0.45) ACSS2RIPK1
SCHEMBL26046859 0.81 ACSS2 (0.64) ACSS2MAPK1RIPK1PABPC1MAP3K5
SCHEMBL26047485 0.80 ACSS2 (0.57) ACSS2MAPK1RIPK1PABPC1
SCHEMBL26047387 0.80 ACSS2 (0.71) ACSS2MAPK1RIPK1PABPC1MAP3K5
SCHEMBL26047384 0.79 ACSS2 (0.70) ACSS2MAPK1PABPC1
SCHEMBL26047413 0.79 ACSS2 (0.54) ACSS2RIPK1

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 201/4885MAPK1 1741/4885RIPK1 2907/4885

“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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