SCHEMBL17731576

SCHEMBL17731576

COc1ccc(CNC(=NC#N)SC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.43
MAOB P27338 2/20 0.43
MEN1 O00255 2/20 0.43
MAOA P21397 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL17731575 1.00 ALDH1A1 (0.50) ALDH1A1PKMNPC1RAB9AHPGD
SCHEMBL4679515 0.82 MEN1 (0.45) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL4679517 0.82 MEN1 (0.45) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL19494294 0.82 IDO1 (0.53) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13325143 0.82 IDO1 (0.53) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8566519 0.81 IDO1 (0.36) TDP1EPHX2
SCHEMBL4886444 0.80 EPHX2 (0.49) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4886448 0.80 EPHX2 (0.49) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4685969 0.79 HTT (0.43) ALDH1A1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4685972 0.79 HTT (0.43) ALDH1A1RAB9ASMN1; SMN2LMNAMAPT

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 ALDH1A1 1054/4885PKM 230/4885NPC1 3338/4885
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE3A ALDH1A1 1054/4885PKM 230/4885NPC1 3338/4885

“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.