SCHEMBL18210602

SCHEMBL18210602

O=c1nc(-c2cnccn2)cc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
PIM2 Q9P1W9 2/20 0.38
PIM1 P11309 1/20 0.38
METAP2 P50579 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ABL1 P00519 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPT P10636 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
P2RX7 Q99572 1/20 0.36
AXL P30530 1/20 0.36
NUDT1 P36639 1/20 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
SCHEMBL5608708 0.78 HDAC1 (0.32) MAPK1PIM2PIM1PIK3CDPIK3CA
SCHEMBL1194064 0.76 KDM4E (0.55) MAPK1METAP2AXLNUDT1
SCHEMBL30801230 0.75 MAPK1 (0.58) MAPK1METAP2ABL1MAPTAXL
SCHEMBL916878 0.75 CCNT1 (0.48) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3576025 0.75 MAPK1 (0.58) MAPK1METAP2ABL1MAPTAXL
SCHEMBL7210200 0.72 MAPK1 (0.50) MAPK1PIM1PIK3CDPIK3CAPIK3CB
SCHEMBL18210595 0.72 AXL (0.44) MAPK1PIK3CAAXLNUDT1
SCHEMBL29598957 0.71 NISCH (0.50) PIM1METAP2ADRA1AP2RX7NISCH
SCHEMBL78566 0.71 NISCH (0.50) PIM1METAP2ADRA1AP2RX7NISCH
SCHEMBL29454745 0.71 NISCH (0.50) PIM1METAP2ADRA1AP2RX7NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPK1 2003/4885PIM2 567/4885PIM1 2221/4885
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE7B MAPK1 2003/4885PIM2 567/4885PIM1 2221/4885

“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.