SCHEMBL24954560

SCHEMBL24954560

CCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2ccc(O)nc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 4/20 0.35
▸ CCNE1 P24864 4/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CDK5 Q00535 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL24954124 0.90 GCK (0.37) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24952913 0.89 GCK (0.38) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24954289 0.89 RAB9A (0.39) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24953737 0.88 GCK (0.44) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24952962 0.88 GCK (0.44) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24953890 0.88 CCNE1 (0.46) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL24952936 0.87 GCK (0.34) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24952984 0.86 GAA (0.40) GCKALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL24953934 0.85 CCNE1 (0.38) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL28854659 0.85 TRPM8 (0.38) ALDH1A1MEN1MAPTKMT2ARAB9A

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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders DERMIRA, INC. 2023-01-26 — — 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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders MRGPRX2, MRGPRX1, MRGPRX4 GCK 1519/4885CCNE1 4717/4885CDK2 3199/4885

“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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