SCHEMBL21686842

SCHEMBL21686842

CNCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.62
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA4 P22748 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NR3C2 P08235 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PPARG P37231 1/20 0.42

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
SCHEMBL21686846 0.82 CDK1 (0.53) KIF11KMT2AMAPK1SMN1; SMN2
SCHEMBL21686867 0.80 CA1 (0.52) CA1CA2CA12CA4CA7
Hydrochloric Acid SCHEMBL21633755 0.79 KIF11 (0.59) KIF11CA1CA2CA12CA4
SCHEMBL21686852 0.78 CA1 (0.51) KIF11CA1CA2CA12CA4
SCHEMBL15601951 0.78 KEAP1 (0.50) CA1CA2CA12CA4CA7
SCHEMBL4661134 0.77 KIF11 (1.00) KIF11CA1CA2MEN1KMT2A
SCHEMBL21686851 0.75 CA12 (0.55) CA1CA2CA12CA4CA7
SCHEMBL13656086 0.73 KIF11 (0.89) KIF11CA1CA2CA12CA9
SCHEMBL3364543 0.71 CA1 (0.68) KIF11CA1CA2CA12CA9
SCHEMBL26422694 0.71 CA1 (0.68) KIF11CA1CA2CA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300922-A1 PYRIDOPYRIMIDINES AS HISTAMINE H4-RECEPTOR INHIBITORS FAES FARMA, S.A. (ES) 2021-09-30 — — US disclosed
WO-2020020939-A1 PYRIDOPYRIMIDINES AS HISTAMINE H4-RECEPTOR INHIBITORS FAES FARMA, S.A. (ES) 2020-01-30 — — WO 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-20210300922-A1 PYRIDOPYRIMIDINES AS HISTAMINE H4-RECEPTOR INHIBITORS HRH4, HRH3, HRH2 KIF11 4623/4885CA1 3099/4885CA2 1846/4885

“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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