SCHEMBL23220283

SCHEMBL23220283

CN1CCN(C(=O)c2nccc(Nc3c(N)c(=O)c3=O)c2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 10/20 0.48
▸ CXCR1 P25024 1/20 0.42
▸ CCR7 P32248 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ HRH4 Q9H3N8 4/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCNT1 O60563 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
SCHEMBL30632002 0.82 CXCR2 (0.44) CXCR2CXCR1CCR7CCR6PIK3C3
SCHEMBL13075319 0.78 CXCR2 (0.73) CXCR2CXCR1
SCHEMBL23621373 0.76 CXCR2 (0.56) CXCR2CXCR1CCR7CCR6
SCHEMBL23220275 0.73 CXCR2 (0.48) CXCR2CXCR1CCR7CCR6
SCHEMBL23220272 0.73 CXCR2 (0.50) CXCR2CXCR1CCR7CCR6
SCHEMBL31688238 0.73 CCR6 (0.76) CXCR2CXCR1CCR7CCR6
SCHEMBL31531200 0.73 CCR6 (0.46) CXCR2CXCR1CCR7CCR6
SCHEMBL19351483 0.68 CXCR2 (0.53) CXCR2CXCR1CCR6KMT2A
SCHEMBL30631988 0.68 PDGFRB (0.39) CXCR2PIK3C3CCNT1CDK9
SCHEMBL3717820 0.67 CXCR2 (0.63) CXCR2CXCR1

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-10975065-B2 N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors PFIZER INC. (US) 2021-04-13 — — 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-10975065-B2 N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors CCR6, CCR1, CCR3 CXCR2 13/4885CXCR1 16/4885CCR7 19/4885

“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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