SCHEMBL17742136

SCHEMBL17742136

Nc1nc(NCc2ccnc3ccccc23)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.52
SMOX Q9NWM0 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
KDM1A O60341 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NCF1 P14598 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
FERMT2 Q96AC1 1/20 0.41
APP P05067 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL17742100 0.74 GAA (0.61) MAOASMOXKDM1ARCOR1GAA
SCHEMBL17741878 0.74 MAOA (0.64) MAOASMOXKDM1ARCOR1GAA
SCHEMBL17741890 0.74 MAOA (0.61) MAOASMOXKDM1ARCOR1GAA
SCHEMBL17741702 0.74 MAOA (0.60) MAOASMOXKDM1ARCOR1GAA
SCHEMBL28879838 0.72 LOXL2 (0.63) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL9818908 0.71 MAOA (0.58) MAOASMOXKDM1ARCOR1GAA
SCHEMBL14650799 0.69 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL1253989 0.69 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL5550374 0.69 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL17742102 0.69 MAOA (0.46) MAOASMOXKDM1ARCOR1GAA

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 1960/4885LOXL2 3064/4885

“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.