SCHEMBL24952909

SCHEMBL24952909

C[C@H](O)CN(C)C(=O)Nc1ncc(Oc2cccc(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 11/20 0.42
▸ ABL1 P00519 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK5 Q00535 1/20 0.35

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
SCHEMBL24952903 1.00 GCK (0.42) GCKABL1ACACBMGLLATG4B
SCHEMBL24953827 0.89 GCK (0.45) GCKABL1ACACBATG4BHPGD
SCHEMBL24953806 0.89 CCNE1 (0.45) GCKMAPTCCNE1CDK2CDK5
SCHEMBL24953760 0.89 CCNE1 (0.45) GCKMAPTCCNE1CDK2CDK5
SCHEMBL24954559 0.88 SCD (0.43) ATG4BMAPT
SCHEMBL24952969 0.87 GCK (0.39) GCK
SCHEMBL24952895 0.86 JAK2 (0.40) GCK
SCHEMBL24952912 0.84 GCK (0.39) GCKACACBCCNE1CDK2CDK5
SCHEMBL24953711 0.84 PIK3CG (0.38) ACACBMAPTCCNE1CDK2CDK5
SCHEMBL24953766 0.82 GCK (0.39) GCKHPGDMAPTCCNE1CDK2

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 1519/4885ABL1 4235/4885ACACB 3109/4885

“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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