SCHEMBL17741890

SCHEMBL17741890

Cc1ccccc1CNc1n[nH]c(N)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.61
SMOX Q9NWM0 3/20 0.55
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.49
GFER P55789 1/20 0.49
KDM1A O60341 3/20 0.47
RCOR1 Q9UKL0 3/20 0.47
HSD17B10 Q99714 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.46
ELANE P08246 1/20 0.44

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
SCHEMBL17741702 0.81 MAOA (0.60) MAOASMOXGAAGFERKDM1A
SCHEMBL17741878 0.81 MAOA (0.64) MAOASMOXGAAGFERKDM1A
SCHEMBL17742100 0.78 GAA (0.61) MAOASMOXGAAGFERKDM1A
SCHEMBL31453478 0.77 MAPK1 (0.55) MAPK1MAP4K4ELANE
SCHEMBL17742107 0.74 MAOA (0.50) MAOASMOXMAPK1GAAGFER
SCHEMBL10569058 0.74 GAA (0.60) GAAGFERJAK2
SCHEMBL17741762 0.74 MAOA (0.53) MAOASMOXGAAGFERKDM1A
SCHEMBL17742136 0.74 MAOA (0.52) MAOASMOXGAAGFERKDM1A
SCHEMBL10433765 0.72 MAOA (0.62) MAOASMOXGAAGFERKDM1A
SCHEMBL18353624 0.71 ABL1 (0.47) MAPK1GAAMAP4K4ELANE

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-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2019-03-26 US disclosed
WO-2016073424-A1 SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 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-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors PDE12, PDE2A, PDE3A MAOA 311/4885SMOX 1960/4885MAPK1 1619/4885

“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.