SCHEMBL24953564

SCHEMBL24953564

CCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2cccc(C#N)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ GCK P35557 1/20 0.37
▸ PTGER4 P35408 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24953654 0.90 TRPM8 (0.38) JAK2JAK1JAK3RAB9A
SCHEMBL24953926 0.90 TRPM8 (0.38) JAK2JAK1JAK3RAB9A
SCHEMBL28854659 0.90 TRPM8 (0.38) JAK2JAK1JAK3RAB9A
SCHEMBL24952895 0.89 JAK2 (0.40) JAK2JAK1JAK3HRH3GCK
SCHEMBL24954128 0.88 CYP3A4 (0.34) GCK
SCHEMBL24954291 0.88 KCNH2 (0.34) GCKNPC1TP53RAB9ASMN1; SMN2
SCHEMBL24953942 0.88 KDR (0.36) GCK
SCHEMBL24953924 0.87 GCK (0.35) GCK
SCHEMBL24953728 0.87 GCK (0.35) GCK
SCHEMBL24953890 0.87 CCNE1 (0.46) NPC1TP53RAB9ASMN1; SMN2

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 JAK2 2734/4885JAK1 3663/4885JAK3 3332/4885

“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