SCHEMBL17731599

SCHEMBL17731599

Nc1nc(N)n(Cc2cccc(Br)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
XDH P47989 1/20 0.46
CYP11B1 P15538 1/20 0.44
ADRA2C P18825 1/20 0.44
CYP11B2 P19099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BACE1 P56817 1/20 0.43
TP53 P04637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 3/20 0.42
TDO2 P48775 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
AGXT P21549 2/20 0.41
GALR3 O60755 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
SCHEMBL17731568 0.81 ALDH1A1 (0.54) SMN1; SMN2MAPTLMNAHTTCYP11B1
SCHEMBL17731466 0.81 L3MBTL1 (0.54) MEN1KMT2ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL17731471 0.81 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL17731606 0.80 KDM4E (0.50) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL31271710 0.78 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL31271942 0.78 JAK2 (0.47) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL31271953 0.78 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL31271503 0.78 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL17731532 0.78 POLB (0.50) SMN1; SMN2LMNAHTTTAAR1IDO1
SCHEMBL31272139 0.78 FAAH (0.39) MEN1KMT2ASMN1; SMN2MAPTLMNA

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 4 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
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2018-10-04 US disclosed
EP-3215508-A1 SUBSTITUTED 5-METHYL-[1, 2, 4]TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP 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 (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-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors PDE12, PDE2A, PDE3A MEN1 2189/4885KMT2A 650/4885SMN1; SMN2 16/4885
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE3A MEN1 2189/4885KMT2A 650/4885SMN1; SMN2 16/4885

“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.