SCHEMBL26046150

SCHEMBL26046150

CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(N)(c2ccsc2)c2ccsc2)n3CC)n1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 13/20 0.70
▸ RIPK1 Q13546 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ FLT4 P35916 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26046155 0.96 ACSS2 (0.68) ACSS2RIPK1GLAALOX15
SCHEMBL25367341 0.94 ACSS2 (0.75) ACSS2
SCHEMBL23843529 0.90 ACSS2 (0.73) ACSS2
SCHEMBL26046248 0.85 ACSS2 (0.68) ACSS2RIPK1
SCHEMBL26046229 0.85 ACSS2 (0.81) ACSS2RIPK1GLAALOX15
SCHEMBL26046205 0.85 ACSS2 (0.69) ACSS2RIPK1GLAALOX15
SCHEMBL26046170 0.84 ACSS2 (0.66) ACSS2RIPK1GLAALOX15
SCHEMBL26046236 0.84 ACSS2 (0.64) ACSS2RIPK1
SCHEMBL26046279 0.84 ACSS2 (0.66) ACSS2RIPK1
SCHEMBL23832298 0.84 ACSS2 (0.80) 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 201/4885RIPK1 2907/4885GLA 1335/4885

“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