SCHEMBL167394

SCHEMBL167394

O=c1ccc2nccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CCNB2 O95067 12/20 0.41
CDK1 P06493 12/20 0.41
CCNB1 P14635 12/20 0.41
CCNB3 Q8WWL7 12/20 0.41
GSK3B P49841 11/20 0.41
CDK5 Q00535 10/20 0.41
CDK5R1 Q15078 10/20 0.41
GSK3A P49840 7/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
HCAR1 Q9BXC0 3/20 0.38

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
SCHEMBL29623547 1.00 MAPK1 (0.46) MAPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL30498462 0.72 HCAR1 (0.35) HCAR1
SCHEMBL6796288 0.72 HCAR1 (0.35) HCAR1
SCHEMBL217245 0.72 AURKA (0.43) CCNB2CDK1CCNB1CCNB3GSK3B
Hydrochloric Acid SCHEMBL8793075 0.71 AURKA (0.42) CCNB2CDK1CCNB1CCNB3GSK3B
Hydrochloric Acid SCHEMBL29397868 0.71 AURKA (0.42) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL14901140 0.71 MAPK1 (0.43) MAPK1CDK5PDE3BPDE3AHCAR1
SCHEMBL586351 0.70 DAO (0.53) PDE3BPDE3AHCAR1
SCHEMBL126973 0.70 DAO (0.53) PDE3BPDE3A
SCHEMBL31042178 0.70 DAO (0.53) PDE3BPDE3AHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026088070-A1 COMPOUNDS PFIZER INC. (US) 2026-04-30 WO disclosed
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
US-20230136702-A1 Inhibitors of Human Herpesviruses THE GOVERNORS OF THE UNIVERSTIY OF ALBERTA (CA) 2023-05-04 US disclosed
CN-115433211-A Pyrazidopyridone methionine adenosyltransferase 2A inhibitors 南京正大天晴制药有限公司 2022-12-06 CN disclosed
CN-108137616-B Antibacterial agents comprising pyrazino [2,3-b ] [1,4] oxazin-3-ones or related ring systems 葛兰素史克知识产权开发有限公司 2020-06-26 CN disclosed
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 US disclosed
EP-2611815-A1 HERBICIDE-EFFECTIVE PYRIDYL KETOSULTAMS Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2012028580-A1 HERBICIDE-EFFECTIVE PYRIDYL KETOSULTAMS BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20230136702-A1 Inhibitors of Human Herpesviruses RPL5, RPL35, HAVCR2 MAPK1 2872/4885CCNB2 1066/4885CDK1 257/4885
US-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS PDXK, CBR3, CBR1 MAPK1 1016/4885CCNB2 1286/4885CDK1 452/4885

“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.