SCHEMBL22276778

SCHEMBL22276778

Cn1cc(-c2ccc(NC=O)cc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.38
▸ DYRK1A Q13627 11/20 0.38
▸ WNT1 P04628 9/20 0.38
▸ OGT O15294 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LIMK1 P53667 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 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
SCHEMBL16408119 0.80 APP (0.41) GSK3BDYRK1AWNT1OGTIDH1
SCHEMBL26354513 0.74 PTGS2 (0.38) GSK3BDYRK1AWNT1KDM4EKDM4A
SCHEMBL9143504 0.73 KDR (0.50) ALDH1A1KDM4EKDM5C
SCHEMBL28367077 0.72 GSK3B (0.36) GSK3BDYRK1AWNT1DPP4IDH1
SCHEMBL26098876 0.72 PTGS2 (0.49) GSK3BALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28862432 0.72 KDR (0.49) ALDH1A1KDM4EKDM5C
SCHEMBL14446422 0.72 KDR (0.52) OGTALDH1A1LMNA
SCHEMBL5049519 0.72 NPC1 (0.42) GSK3BDYRK1AWNT1ALDH1A1KDM4E
SCHEMBL2682667 0.72 PTGS2 (0.49) GSK3BDYRK1AWNT1ALDH1A1KDM4E
SCHEMBL28298649 0.72 HSD17B1 (0.50) GSK3BDYRK1AWNT1ALDH1A1KDM4E

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-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-10-03 — — US disclosed
US-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2020-07-30 — — 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 (2 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-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE NEU1, NEU3, NEU2 GSK3B 2394/4885DYRK1A 3786/4885WNT1 2948/4885
US-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase NEU1, NEU3, NEU2 GSK3B 2394/4885DYRK1A 3786/4885WNT1 2948/4885

“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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