SCHEMBL797068

SCHEMBL797068

Nc1nc(Nc2ccccc2)nc(-c2noc(C(=O)NC3CCCC3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MERTK Q12866 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
BLM P54132 1/20 0.42
CDK5 Q00535 1/20 0.42
ATM Q13315 1/20 0.42
CDK5R1 Q15078 1/20 0.42
S1PR1 P21453 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
SYK P43405 1/20 0.41
CDK9 P50750 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
SCHEMBL795502 0.98 CYP2D6 (0.45) CYP2D6MAPTRXFP1NPC1RAB9A
SCHEMBL796314 0.89 CDK9 (0.40) CYP2D6MAPTNPC1RAB9AMEN1
SCHEMBL796014 0.88 NPC1 (0.44) CYP2D6NPC1RAB9AMEN1KMT2A
SCHEMBL796061 0.86 GRM5 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL795489 0.83 ADORA2A (0.47) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL807945 0.81 KMT2A (0.46) MAPTNPC1RAB9AMERTKMEN1
SCHEMBL795266 0.81 CDK9 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL795945 0.81 KMT2A (0.47) MAPTNPC1RAB9AMERTKMEN1
SCHEMBL795621 0.80 CYP2D6 (0.45) CYP2D6MAPTNPC1RAB9AMERTK
SCHEMBL808335 0.79 TP53 (0.39) MAPTNPC1RAB9AMEN1KMT2A

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 11 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
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 CYP2D6 133/4885MAPT 2602/4885RXFP1 1170/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CYP2D6 133/4885MAPT 2602/4885RXFP1 1170/4885

“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.