SCHEMBL17318005

SCHEMBL17318005

N#Cc1nccn2ccnc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.46
CDK2 P24941 1/20 0.36
PIK3CG P48736 2/20 0.34
CYP11B1 P15538 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
ELANE P08246 2/20 0.31

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
SCHEMBL4485487 0.75 CDK2 (0.43) CDK2PIK3CGCYP11B1ELANE
SCHEMBL15688675 0.75 L3MBTL1 (0.41) NUDT1PIK3CGL3MBTL1XDHSLC22A12
SCHEMBL15688674 0.75 L3MBTL1 (0.38) PIK3CGL3MBTL1
SCHEMBL12778121 0.75 L3MBTL1 (0.31) L3MBTL1XDHSLC22A12
SCHEMBL23942101 0.72 PIK3CG (0.36) NUDT1CDK2PIK3CGL3MBTL1XDH
SCHEMBL15349644 0.71 NUDT1 (0.41) NUDT1L3MBTL1
SCHEMBL325037 0.71 CDK2 (0.43) NUDT1CDK2PIK3CGELANE
SCHEMBL25428487 0.69 TDO2 (0.42) NUDT1XDHSLC22A12
SCHEMBL12618990 0.69 NUDT1 (0.38) NUDT1CDK2PIK3CGL3MBTL1XDH
SCHEMBL921526 0.69 CYP1A2 (0.40) NUDT1CDK2PIK3CGL3MBTL1XDH

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-3152214-B1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-01-29 EP disclosed
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
EP-3152214-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2017-04-12 EP disclosed
WO-2015187470-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 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 (1 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-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, PDE3A, PDE5A NUDT1 249/4885CDK2 2435/4885PIK3CG 911/4885

“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.