SCHEMBL24952914

SCHEMBL24952914

CCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2cncnc2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.34
▸ CCNE1 P24864 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CDK5 Q00535 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ GCK P35557 4/20 0.33
▸ GRM5 P41594 2/20 0.32
▸ NPC1 O15118 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
SCHEMBL24953890 0.88 CCNE1 (0.46) CCNE1CDK2CDK5SMN1; SMN2CCNT1
SCHEMBL24953681 0.88 GCK (0.38) GCKNPC1RAB9A
SCHEMBL24953934 0.88 CCNE1 (0.38) ACACBCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL24954122 0.87 GCK (0.38) GCKPSEN1PSEN2APH1BNCSTN
SCHEMBL24952962 0.86 GCK (0.44) ACACBCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL24953737 0.86 GCK (0.44) ACACBCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL24953916 0.85 PSEN1 (0.40) GCKPSEN1PSEN2APH1BNCSTN
SCHEMBL24952984 0.85 GAA (0.40) SMN1; SMN2ALDH1A1GCKNPC1TP53
SCHEMBL24954560 0.85 GCK (0.35) CCNE1CDK2CDK5SMN1; SMN2CCNT1
SCHEMBL24954124 0.85 GCK (0.37) CCNE1CDK2CDK5SMN1; SMN2CCNT1

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 ACACB 3109/4885CCNE1 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.

Send feedback