SCHEMBL5331004

SCHEMBL5331004

Cn1n[c]cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PCSK9 Q8NBP7 2/20 0.36
ATP1A1 P05023 5/20 0.36
ATP1B1 P05026 5/20 0.36
ATP1A3 P13637 5/20 0.36
ATP1B2 P14415 5/20 0.36

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
SCHEMBL2493693 0.82 MAPK1 (0.44) ALDH1A1RAB9AKMT2ANR1H2NR1H3
SCHEMBL695811 0.73 NPC1 (0.46) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL2753284 0.73 SMN1; SMN2 (0.47) ALDH1A1CYP1A2RAB9AMAPT
SCHEMBL2753852 0.72 ATP1A1 (0.35) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL2752323 0.72 AHR (0.43) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL2751797 0.72 METAP2 (0.34)
SCHEMBL5966691 0.71 CNR2 (0.41) ALDH1A1NR1H2ATP1A1ATP1B1ATP1A3
SCHEMBL2751709 0.71
SCHEMBL2753035 0.71 ADORA2B (0.31) ALDH1A1
SCHEMBL10480724 0.65 PCSK9 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6NPC1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092788-B Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2022-02-25 CN claimed
EP-3597649-B1 COMPOSITIONS CONTAINING SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2021-10-13 EP claimed
EP-3134413-B1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-09-11 EP claimed
CN-110092788-A Substituted [1,2,4] triazol [1,5-a] pyrimidin-7-yl compound as PDE2 inhibitor 达特神经科学(开曼)有限公司 2019-08-06 CN claimed
US-9932345-B2 Substituted [1,2,4]triazolo[1,5-A]pyrimidin-7-yl compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-04-03 US claimed
US-20170057967-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2017-03-02 US claimed
EP-3134413-A1 SUBSTITUTED [1,2,4]TRIAZOLO [1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2017-03-01 EP claimed
CN-106459062-A Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2017-02-22 CN claimed
CN-102725290-B As the condensed heterocyclic compouds of ion channel modulators GILEAD SCIENCES, INC. (US) 2016-03-09 CN claimed
WO-2015164508-A1 SUBSTITUTED [1,2,4] TRIAZOLO [1,5-A] PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2015-10-29 WO claimed
CN-102725290-A Fused heterocyclic compounds as ion channel modulators GILEAD PALO ALTO INC 2012-10-10 CN claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-20230192698-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-06-22 US disclosed
CN-110105286-B Substituted heterocyclic compound containing urea skeleton and preparation method and application thereof 中国药科大学 2022-08-09 CN disclosed
CN-110092788-B Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2022-02-25 CN disclosed
CN-102725290-A Fused heterocyclic compounds as ion channel modulators GILEAD PALO ALTO INC 2012-10-10 CN disclosed
CN-101835377-A Pyrazole compounds for controlling invertebrate pests BASF SE 2010-09-15 CN disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US 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 (3 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-20170057967-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, TDP2 ALDH1A1 1555/4885CYP1A2 58/4885CYP3A4 1009/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 ALDH1A1 2972/4885CYP1A2 4174/4885CYP3A4 4307/4885
US-20230192698-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, TDP2 ALDH1A1 1509/4885CYP1A2 63/4885CYP3A4 1093/4885

“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.