SCHEMBL17742091

SCHEMBL17742091

Nc1nc(NCc2ccc(F)c(F)c2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.47
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.43
GAA P10253 4/20 0.43
GFER P55789 2/20 0.43
PLK4 O00444 1/20 0.43
GPR68 Q15743 1/20 0.43
NTRK1 P04629 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
MPO P05164 1/20 0.41
SMOX Q9NWM0 1/20 0.40

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
SCHEMBL17742105 0.82 MAOA (0.60) MAOAGAAGFERSMOX
SCHEMBL17741901 0.80 APP (0.56) MAOARPS6KB1GAAPLK4MAPT
SCHEMBL17742133 0.79 MAOA (0.57) MAOAGAAGFERNTRK1MEN1
SCHEMBL17741774 0.79 MAOA (0.50) MAOAGAAGFERGPR68NTRK1
SCHEMBL10433765 0.78 MAOA (0.62) MAOAGAAGFERSMOX
SCHEMBL7397967 0.77 GAA (0.62) MAOAGAAGFERMEN1KMT2A
SCHEMBL17742090 0.77 MAOA (0.56) MAOANTRK1SMOX
SCHEMBL17742104 0.76 KDM1A (0.53) MAOAGAAGFERMAPTSMOX
SCHEMBL17741703 0.76 MAOA (0.57) MAOAPLK4NTRK1SMOX
SCHEMBL17741878 0.75 MAOA (0.64) MAOAGAAGFERNTRK1MEN1

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 311/4885PIM1 2896/4885RPS6KB1 3706/4885

“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.