SCHEMBL24953766

SCHEMBL24953766

C[C@H](O)CN(C)C(=O)Nc1ncc(Oc2ccccc2F)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 3/20 0.39
▸ POLB P06746 1/20 0.37
▸ CCNE1 P24864 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CDK5 Q00535 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ LPAR1 Q92633 2/20 0.36

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
SCHEMBL24953859 0.88 SMN1; SMN2 (0.39) GCKPOLBCCNE1CDK2CDK5
SCHEMBL24953975 0.88 GCK (0.36) GCKALDH1A1MAPTMEN1KMT2A
SCHEMBL24953827 0.86 GCK (0.45) GCKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24953760 0.86 CCNE1 (0.45) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24953806 0.86 CCNE1 (0.45) GCKCCNE1CDK2CDK5ALDH1A1
SCHEMBL24952954 0.86 SMN1; SMN2 (0.41) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL24953707 0.85 GCK (0.35) GCKSMN1; SMN2NPC1RAB9A
SCHEMBL24953870 0.84 GCK (0.36) GCK
SCHEMBL24953897 0.84 GCK (0.39) GCK
SCHEMBL24952903 0.82 GCK (0.42) GCKCCNE1CDK2CDK5MAPT

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 1519/4885POLB 4455/4885CCNE1 4717/4885

“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.

Send feedback