SCHEMBL795945

SCHEMBL795945

Nc1nc(Nc2ccccc2)nc(-c2noc(NC3CCCCC3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
BLM P54132 1/20 0.47
CDK5 Q00535 1/20 0.47
ATM Q13315 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MERTK Q12866 4/20 0.45
ADORA3 P0DMS8 5/20 0.43
ADORA2A P29274 5/20 0.43
ADORA1 P30542 5/20 0.43
NPY5R Q15761 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL807945 0.99 KMT2A (0.46) KMT2AMEN1GSK3AGSK3BBLM
SCHEMBL795592 0.86 CTSL (0.42) KMT2AMEN1NPY5RKDM4ENPC1
SCHEMBL797068 0.81 CYP2D6 (0.48) KMT2AMEN1GSK3AGSK3BBLM
SCHEMBL795502 0.78 CYP2D6 (0.45) KMT2AMEN1GSK3AGSK3BBLM
SCHEMBL795651 0.78 MAPK1 (0.40) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL794305 0.75 KDM4E (0.53) KMT2AMEN1BLMKDM4ENPC1
SCHEMBL15477225 0.73 MAPT (0.50) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL24342054 0.72 PDE5A (0.55) ADORA3ADORA2AADORA1NPY5RKDM4E
SCHEMBL5336737 0.72 PDE5A (0.55) ADORA3ADORA2AADORA1NPY5RKDM4E
SCHEMBL19679830 0.72 PDE5A (0.55) ADORA3ADORA2AADORA1NPY5RKDM4E

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
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
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
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP 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 KMT2A 3938/4885MEN1 4842/4885GSK3A 491/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MEN1 4842/4885GSK3A 491/4885

“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.