SCHEMBL6510183

SCHEMBL6510183

O=c1nc(-c2ncc[nH]2)cc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 2/20 0.42
ADK P55263 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA2A P08913 3/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
BRD4 O60885 1/20 0.35
AXL P30530 1/20 0.34
NUDT1 P36639 1/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
PDE4A P27815 2/20 0.33

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
SCHEMBL6903071 0.77 NISCH (0.42) PDE3BPDE3ANISCHMTORADK
SCHEMBL197279 0.75 NISCH (0.54) PDE3BPDE3ANISCHMTORADK
SCHEMBL18210595 0.74 AXL (0.44) ALDH1A1KDM4EKMT2AAXLNUDT1
SCHEMBL20595280 0.72 NISCH (0.45) PDE3BPDE3ANISCHMTORADK
SCHEMBL1194064 0.72 KDM4E (0.55) ALDH1A1KDM4EAXLNUDT1CYP1A2
SCHEMBL7210200 0.71 MAPK1 (0.50) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL916878 0.70 CCNT1 (0.48) CYP3A4
SCHEMBL18210602 0.70 MAPK1 (0.40) NISCHAXLNUDT1CYP3A4
SCHEMBL10986982 0.70
SCHEMBL5491437 0.70

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119320393-A Bicyclo [5,6] imidazole pyrimidinone derivative, preparation method and application thereof 上海枢境生物科技有限公司 2025-01-17 CN disclosed
CN-119320393-A Bicyclo [5,6] imidazole pyrimidinone derivative, preparation method and application thereof 上海枢境生物科技有限公司 2025-01-17 CN disclosed
CN-118221687-B Bicyclo [5,6] imidazole pyrimidinone derivative, preparation method and application thereof 上海枢境生物科技有限公司 2024-12-31 CN disclosed
CN-118221687-B Bicyclo [5,6] imidazole pyrimidinone derivative, preparation method and application thereof 上海枢境生物科技有限公司 2024-12-31 CN disclosed
CN-118221687-A Bicyclo [5,6] imidazole pyrimidinone derivative, preparation method and application thereof 上海枢境生物科技有限公司 2024-06-21 CN disclosed
CN-118221687-A Bicyclo [5,6] imidazole pyrimidinone derivative, preparation method and application thereof 上海枢境生物科技有限公司 2024-06-21 CN disclosed
CN-113604148-B Nano SiO2Modified quadruple hydrogen bond type self-repairing polyurethane coating and preparation method thereof 深圳市博仲实业有限公司 2022-06-07 CN disclosed
EP-3291817-B1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-20180280390-A1 Heteroaryl-Pyrimidinone Compounds as PDE2 Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-04 US disclosed
EP-3291817-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-03-14 EP disclosed
WO-2016179059-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 WO disclosed
WO-2005061505-A1 BICYCLIC IMIDAZOLYL PYRIMIDIN-4-ONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-07-07 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-20180280390-A1 Heteroaryl-Pyrimidinone Compounds as PDE2 Inhibitors PDE2A, PDE12, PDE7B PDE3B 7/4885PDE3A 6/4885NISCH 2247/4885
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE7B PDE3B 7/4885PDE3A 6/4885NISCH 2247/4885

“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.