SCHEMBL24953760

SCHEMBL24953760

C[C@@H](O)CN(C)C(=O)Nc1ncc(Oc2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 7/20 0.45
▸ CDK2 P24941 7/20 0.45
▸ CDK5 Q00535 7/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ MNAT1 P51948 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL24953806 1.00 CCNE1 (0.45) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL24953711 0.91 PIK3CG (0.38) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL24953827 0.89 GCK (0.45) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL24952903 0.89 GCK (0.42) CCNE1CDK2CDK5MAPTGCK
SCHEMBL24952909 0.89 GCK (0.42) CCNE1CDK2CDK5MAPTGCK
SCHEMBL24953890 0.87 CCNE1 (0.46) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL24953766 0.86 GCK (0.39) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL24954077 0.86 MMP2 (0.40) MEN1KMT2ALMNAGCK
SCHEMBL24952912 0.86 GCK (0.39) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL24953922 0.86 SCN9A (0.41) RAB9AALDH1A1MEN1MAPTKMT2A

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 CCNE1 4717/4885CDK2 3199/4885CDK5 3907/4885

“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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