SCHEMBL17731564

SCHEMBL17731564

Nc1nc(N)n(Cc2ccc3c(c2)CCO3)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 2/20 0.53
DYRK1A Q13627 2/20 0.45
MET P08581 1/20 0.44
FAAH O00519 1/20 0.42
PDE2A O00408 1/20 0.42
LYPLAL1 Q5VWZ2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PRKCI P41743 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
SSTR5 P35346 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL17731570 0.90 PDE8B (0.43) PDE8BDYRK1AMETFAAHPDE2A
SCHEMBL17731358 0.85 PDE8B (0.50) PDE8BMETSMN1; SMN2MAPTALDH1A1
SCHEMBL1491129 0.78 PDE8B (0.52) PDE8BDYRK1AMETFAAHSMN1; SMN2
SCHEMBL17731447 0.78 MPO (0.40) PDE8BFAAHPDE2ASMN1; SMN2RAB9A
SCHEMBL17731436 0.72 FAAH (0.42) FAAHPDE2AALDH1A1HSP90AA1TRAP1
SCHEMBL12227071 0.71 FAAH (0.58) FAAHSMN1; SMN2POLBALDH1A1MEN1
SCHEMBL448730 0.70 PRKCI (0.51) PDE8BDYRK1ASMN1; SMN2RAB9AMAPT
SCHEMBL17731481 0.70 ALDH1A1 (0.42) POLBALDH1A1TRAP1
SCHEMBL28192271 0.69 SMN1; SMN2 (0.58) FAAHSMN1; SMN2POLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL507189 0.69 PRKCI (0.50) DYRK1ASMN1; SMN2RAB9AMAPTPOLB

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 PDE8B 14/4885DYRK1A 252/4885MET 4148/4885
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE3A PDE8B 14/4885DYRK1A 252/4885MET 4148/4885

“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.