SCHEMBL24952969

SCHEMBL24952969

C[C@H](O)CN(C)C(=O)Nc1ncc(Oc2cncc(F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 3/20 0.39
▸ CYP3A4 P08684 5/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ PTGER4 P35408 1/20 0.33

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
SCHEMBL24952968 0.89 GCK (0.39) GCK
SCHEMBL24954122 0.88 GCK (0.38) GCKCYP3A4CYP1A2CYP2C9SLC6A3
SCHEMBL24953827 0.88 GCK (0.45) GCK
SCHEMBL24953721 0.87 TLR8 (0.36) GCK
SCHEMBL24952909 0.87 GCK (0.42) GCK
SCHEMBL24952903 0.87 GCK (0.42) GCK
SCHEMBL24954557 0.86 CYP3A4 (0.35) GCKCYP3A4CYP1A2CYP2C9SLC6A3
SCHEMBL24953806 0.83 CCNE1 (0.45) GCK
SCHEMBL24953760 0.83 CCNE1 (0.45) GCK
SCHEMBL24952912 0.83 GCK (0.39) GCK

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 1519/4885CYP3A4 2496/4885CYP1A2 1154/4885

“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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