SCHEMBL807925

SCHEMBL807925

N#Cc1nc(=O)nc(N)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.38
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CDK2 P24941 1/20 0.35
PNP P00491 1/20 0.34
CYP3A4 P08684 1/20 0.34
BLM P54132 1/20 0.34
MAPT P10636 1/20 0.31
PSMB8 P28062 2/20 0.31
GAA P10253 1/20 0.31
MITF O75030 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
HBB P68871 1/20 0.31
HIF1A Q16665 1/20 0.31
TYMS P04818 1/20 0.30

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
SCHEMBL19253573 0.84 PSMB8 (0.35) PSMB8GAA
SCHEMBL731953 0.81
SCHEMBL2417370 0.71 PNP (0.66) PNPMAPTTHRB
SCHEMBL796035 0.70 L3MBTL1 (0.44) XDHPSMB8
SCHEMBL14264257 0.65
SCHEMBL796034 0.65 XDH (0.38) XDHCDK1CDK4CDK2PNP
SCHEMBL1020020 0.64 PSMB8 (0.32) PSMB8
SCHEMBL9781236 0.64 LMNA (0.40) PSMB8
SCHEMBL10841966 0.62 USP8 (0.40) PSMB8
SCHEMBL31589910 0.61 PDPK1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 XDH 394/4885CDK1 697/4885CDK4 708/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 XDH 394/4885CDK1 697/4885CDK4 708/4885

“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.