SCHEMBL25434252

SCHEMBL25434252

CCc1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nn2cc(OC)c(C(=O)Nc3ncn(CC)n3)cc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 6/20 0.68
▸ GLA P06280 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ UGCG Q16739 1/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ AXL P30530 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL26044506 0.92 ACSS2 (0.80) ACSS2GLAALOX15PDE10ASMN1; SMN2
SCHEMBL23832307 0.87 ACSS2 (0.64) ACSS2GLAALOX15PDE10ASMN1; SMN2
SCHEMBL26044494 0.81 ACSS2 (1.00) ACSS2GLAALOX15ALDH1A1
SCHEMBL25433217 0.80 ACSS2 (0.47) ACSS2GLAALOX15PDE10ASMN1; SMN2
SCHEMBL26047003 0.79 ACSS2 (0.54) ACSS2GLAALOX15SMN1; SMN2TSHR
SCHEMBL23843514 0.77 ACSS2 (0.65) ACSS2GLAALOX15KMT2AALDH1A1
SCHEMBL30640950 0.77 ACSS2 (0.65) ACSS2GLAALOX15KMT2AALDH1A1
SCHEMBL26044500 0.77 ACSS2 (0.58) ACSS2
SCHEMBL26045891 0.77 ACSS2 (0.56) ACSS2GLAALOX15PDE10ASMN1; SMN2
SCHEMBL30640961 0.76 ACSS2 (0.79) ACSS2GLAALOX15ALDH1A1

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 201/4885GLA 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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