SCHEMBL3428513

SCHEMBL3428513

C#CCn1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.56
ADORA3 P0DMS8 2/20 0.56
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
MGMT P16455 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
PNP P00491 2/20 0.42
DPP4 P27487 1/20 0.40
ADORA2A P29274 7/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
PDPK1 O15530 1/20 0.38
GDA Q9Y2T3 1/20 0.38
MAP3K5 Q99683 1/20 0.37

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
SCHEMBL874737 0.81 ADORA2A (0.56) ADORA2BADORA3PNPDPP4ADORA2A
SCHEMBL1047660 0.81 PNP (0.45) ADORA2BCDK2PNPDPP4ADORA2A
SCHEMBL28071828 0.81 PNP (0.45) ADORA2BMGMTPNPDPP4ADORA2A
SCHEMBL667797 0.78 PDE4A (0.60) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL27842808 0.78 PDE4A (0.53) ADORA2BPNPDPP4ADORA2APDE4A
SCHEMBL669007 0.78 ADORA2B (0.61) ADORA2BADORA3CDK1CCNB1MGMT
SCHEMBL3671339 0.78 DPP4 (0.44) ADORA2BADORA3PNPDPP4ADORA2A
SCHEMBL28305222 0.78 PDE4A (0.56) ADORA2BADORA3PNPDPP4ADORA2A
SCHEMBL2343362 0.77 ADORA2A (0.44) ADORA2BCDK1CCNB1MGMTCCNA2
SCHEMBL5504400 0.77 ADORA2A (0.59) ADORA2BCDK1CCNB1CCNA2CDK2

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
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 US disclosed
CN-1720332-A O6Substrates for -alkylguanine-DNA alkyltransferases ECOLE POLYTECH (CH) 2006-01-11 CN disclosed
EP-1017394-B1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER REC TECH LTD (GB) 2005-12-07 EP disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 WO disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP disclosed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 WO disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 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-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 ADORA2B 2972/4885ADORA3 1783/4885CDK1 3650/4885

“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.