SCHEMBL26047760

SCHEMBL26047760

CCn1cc(NC(=O)c2cnc3nc(C(c4ccccc4)c4ccccc4)n(C)c3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ SCD O00767 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ RPS6KA2 Q15349 5/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TAS2R8 Q9NYW2 1/20 0.39

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
SCHEMBL26046937 0.92 ACSS2 (0.49) ACSS2NAMPTKDM1AALDH1A1SCD
SCHEMBL23843489 0.81 ACSS2 (0.62) ACSS2NAMPTKDM1A
SCHEMBL26046925 0.78 ACSS2 (0.42) ACSS2NAMPTKDM1AALDH1A1SCD
SCHEMBL26047747 0.78 ACSS2 (0.41) ACSS2NAMPTKDM1AALDH1A1SCD
SCHEMBL26047616 0.78 ACSS2 (0.42) ACSS2NAMPTKDM1AALDH1A1SCD
SCHEMBL26046919 0.76 ACSS2 (0.43) ACSS2ALDH1A1RAB9A
SCHEMBL26046895 0.76 ACSS2 (0.42) ACSS2NAMPTKDM1AALDH1A1SCD
SCHEMBL23843567 0.76 ACSS2 (0.69) ACSS2
SCHEMBL26047660 0.76 ACSS2 (0.42) ACSS2NAMPTKDM1AALDH1A1SCD
SCHEMBL26046810 0.76 SCD (0.45) ACSS2NAMPTKDM1AALDH1A1SCD

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 201/4885NAMPT 657/4885KDM1A 1814/4885

“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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