SCHEMBL24952912

SCHEMBL24952912

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 8/20 0.39
▸ P2RY14 Q15391 1/20 0.36
▸ ACACB O00763 1/20 0.33
▸ CCNE1 P24864 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CDK5 Q00535 3/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL24953827 0.91 GCK (0.45) GCKACACBALDH1A1SMN1; SMN2
SCHEMBL24952913 0.88 GCK (0.38) GCKP2RY14CCNE1CDK2CDK5
SCHEMBL24953760 0.86 CCNE1 (0.45) GCKCCNE1CDK2CDK5CCNT1
SCHEMBL24953806 0.86 CCNE1 (0.45) GCKCCNE1CDK2CDK5CCNT1
SCHEMBL24954077 0.86 MMP2 (0.40) GCK
SCHEMBL24952909 0.84 GCK (0.42) GCKACACBCCNE1CDK2CDK5
SCHEMBL24952903 0.84 GCK (0.42) GCKACACBCCNE1CDK2CDK5
SCHEMBL24953922 0.84 SCN9A (0.41) ALDH1A1
SCHEMBL24953711 0.84 PIK3CG (0.38) ACACBCCNE1CDK2CDK5ALDH1A1
SCHEMBL24952969 0.83 GCK (0.39) GCK

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 1519/4885P2RY14 132/4885ACACB 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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