SCHEMBL24954124

SCHEMBL24954124

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.37
▸ P2RY14 Q15391 5/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34

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
SCHEMBL24954560 0.90 GCK (0.35) GCKSMN1; SMN2NPC1TP53RAB9A
SCHEMBL24954289 0.89 RAB9A (0.39) GCKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24952913 0.89 GCK (0.38) GCKP2RY14SMN1; SMN2ALDH1A1CCNE1
SCHEMBL24953737 0.88 GCK (0.44) GCKSMN1; SMN2ALDH1A1CCNE1CDK2
SCHEMBL24952962 0.88 GCK (0.44) GCKSMN1; SMN2ALDH1A1CCNE1CDK2
SCHEMBL24953890 0.88 CCNE1 (0.46) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL24952936 0.87 GCK (0.34) GCKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24953934 0.87 CCNE1 (0.38) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL24952984 0.86 GAA (0.40) GCKSMN1; SMN2NPC1TP53RAB9A
SCHEMBL24952914 0.85 ACACB (0.34) GCKSMN1; SMN2NPC1TP53RAB9A

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 132/4885P2RX3 10/4885

“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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