SCHEMBL795266

SCHEMBL795266

NC(=O)c1nc(-c2nc(N)nc(Nc3ccccc3)n2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.47
KMT2A Q03164 5/20 0.46
NPC1 O15118 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GPR68 Q15743 1/20 0.42
RHOA P61586 1/20 0.42
BCL6 P41182 1/20 0.41
UBE2B P63146 1/20 0.40

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
SCHEMBL793556 0.86 CDK2 (0.43) CDK9KMT2ANPC1KDM4EMAPT
SCHEMBL796307 0.83 KDM4E (0.48) CDK9KMT2ANPC1KDM4EMAPT
SCHEMBL796727 0.83 KMT2A (0.49) CDK9KMT2ANPC1KDM4EMAPT
SCHEMBL796454 0.82 KDM4E (0.48) CDK9KMT2ANPC1KDM4EMAPT
SCHEMBL795502 0.81 CYP2D6 (0.45) CDK9KMT2ANPC1KDM4EMAPT
SCHEMBL797068 0.81 CYP2D6 (0.48) CDK9KMT2ANPC1KDM4EMAPT
SCHEMBL796314 0.80 CDK9 (0.40) CDK9KMT2ANPC1KDM4EMAPT
SCHEMBL15482841 0.79 TSHR (0.47) KMT2ANPC1KDM4EMAPTRAB9A
SCHEMBL795489 0.77 ADORA2A (0.47) KMT2AMAPTMEN1ALDH1A1TSHR
SCHEMBL795198 0.75 CDK9 (0.48) CDK9KMT2ANPC1KDM4EMAPT

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 CDK9 1967/4885KMT2A 3938/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CDK9 1967/4885KMT2A 3938/4885NPC1 3204/4885

“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.