SCHEMBL6012369

SCHEMBL6012369

Brc1nc2nccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
EGLN1 Q9GZT9 1/20 0.36
MAPK1 P28482 1/20 0.35
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
DAO P14920 1/20 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
SCHEMBL11842320 0.73 MAPK1 (0.42) ADORA2AADORA1MAPK1GSK3AGSK3B
SCHEMBL976118 0.71 METAP2 (0.48) METAP2METAP1EGLN1MAPK1CCNB2
SCHEMBL4719448 0.71 METAP2 (0.44) METAP2METAP1EGLN1
SCHEMBL30615128 0.71 METAP2 (0.44) METAP2METAP1EGLN1CCNB2CDK1
Zarzissine SCHEMBL1514280 0.71 NUDT1 (0.50) METAP2METAP1ADORA2AEGLN1
SCHEMBL29433971 0.71 METAP2 (0.44) METAP2METAP1EGLN1
SCHEMBL14409054 0.71 METAP2 (0.44) METAP2METAP1EGLN1
SCHEMBL813686 0.71 METAP2 (0.44) METAP2METAP1ADORA2AADORA1EGLN1
SCHEMBL18757949 0.70 METAP2 (0.43) METAP2METAP1EGLN1
SCHEMBL5399592 0.67 NUDT1 (0.44) METAP2METAP1EGLN1

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
CN-105189506-A Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG 2015-12-23 CN disclosed
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
EP-2920177-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2015-09-23 EP disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
WO-2006086545-A2 METHOD TO IDENTIFY NOVEL THERAPEUTICS DESIMONE ROBERT W (US) 2006-08-17 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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 METAP2 599/4885METAP1 409/4885ADORA2A 4276/4885

“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.