SCHEMBL21686851

SCHEMBL21686851

CNCCS(=O)(=O)Nc1ccc(SC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA4 P22748 2/20 0.55
▸ CA7 P43166 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ ALDH1A1 P00352 11/20 0.47
▸ MAPT P10636 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ LMNA P02545 6/20 0.44
▸ HTT P42858 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HPGD P15428 2/20 0.43

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
SCHEMBL21686853 0.81 HPGD (0.55) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL21686867 0.81 CA1 (0.52) CA12CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL29143513 0.80 CA12 (0.52) CA12CA1CA2CA4CA7
SCHEMBL21686852 0.79 CA1 (0.51) CA12CA1CA2CA4CA7
SCHEMBL15601951 0.79 KEAP1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL21686842 0.75 KIF11 (0.62) CA12CA1CA2CA4CA7
SCHEMBL14799102 0.72 ALDH1A1 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL27182840 0.69 ALDH1A1 (0.59) CA12CA1CA2CA4CA7
SCHEMBL18028389 0.69 AR (0.48) CA12CA1CA2CA4CA7
SCHEMBL21686866 0.69 HTT (0.49) ALDH1A1MAPTKMT2AMEN1MAPK1

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 CA12 3961/4885CA1 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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