SCHEMBL18210595

SCHEMBL18210595

O=c1nc(-c2ncccn2)cc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
NUDT1 P36639 1/20 0.44
MAPK1 P28482 4/20 0.36
PRKCI P41743 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DAO P14920 1/20 0.33
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 2/20 0.32
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AURKA O14965 1/20 0.32
PSMD14 O00487 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL1194064 0.81 KDM4E (0.55) AXLNUDT1MAPK1PRKCIKDM4E
SCHEMBL3569107 0.75 AXL (0.41) AXLNUDT1MAPK1TDP1KMT2A
SCHEMBL6510183 0.74 PDE3B (0.42) AXLNUDT1KDM4EALDH1A1KMT2A
SCHEMBL144673 0.73 CYP1A2 (0.53) AXLMAPK1KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL28736083 0.72 CYP1A2 (0.52) AXLMAPK1KDM4EALDH1A1GLA
SCHEMBL7210200 0.72 MAPK1 (0.50) MAPK1RAB9ACYP1A2PIK3CA
SCHEMBL18210602 0.72 MAPK1 (0.40) AXLNUDT1MAPK1PIK3CA
SCHEMBL916878 0.72 CCNT1 (0.48) MAPK1GRM5PIK3CA
SCHEMBL3576025 0.72 MAPK1 (0.58) AXLNUDT1MAPK1ALDH1A1CYP1A2
SCHEMBL30801230 0.72 MAPK1 (0.58) AXLNUDT1MAPK1ALDH1A1CYP1A2

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 AXL 3397/4885NUDT1 179/4885MAPK1 2003/4885
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE7B AXL 3397/4885NUDT1 179/4885MAPK1 2003/4885

“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.