SCHEMBL17741828

SCHEMBL17741828

Nc1nc(NCc2cccc(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.58
▸ TDO2 P48775 2/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ EGFR P00533 2/20 0.48
▸ FFAR1 O14842 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ KCNN3 Q9UGI6 1/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ RPS6KA5 O75582 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ AKT1 P31749 1/20 0.45

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
SCHEMBL17741901 0.81 APP (0.56) APPMAOARPS6KB1
SCHEMBL28159939 0.79 MAPT (0.63) —
SCHEMBL14049993 0.78 RECQL (0.53) —
SCHEMBL7397967 0.78 GAA (0.62) APPHDAC3HDAC1HDAC2HDAC6
SCHEMBL17742132 0.78 APP (0.56) APPEGFRFFAR1FFAR4MAOA
SCHEMBL17741762 0.78 MAOA (0.53) APPMAOAKCNN3
SCHEMBL17742106 0.78 MAOA (0.43) MAOA
SCHEMBL17742100 0.77 GAA (0.61) APPMAOA
SCHEMBL17741905 0.77 LOXL2 (0.51) MAOA
SCHEMBL20510977 0.75 APP (0.59) APPTDO2HDAC3HDAC1HDAC2

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 APP 1213/4885TDO2 1114/4885HDAC3 2340/4885

“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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