SCHEMBL797097

SCHEMBL797097

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cnco3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.37
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DHFR P00374 3/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5AP P20292 1/20 0.34
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ATR Q13535 1/20 0.31
AHR P35869 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL795410 0.84 RAB9A (0.47) TSHRSMN1; SMN2MAPTMAPK1ADORA2A
SCHEMBL795503 0.82 NR1H4 (0.47) TSHRSMN1; SMN2NPSR1DHFRMAPT
SCHEMBL797078 0.81 MAPT (0.37) TSHRSMN1; SMN2DHFRMAPTCYP1A2
SCHEMBL796191 0.81 SMN1; SMN2 (0.51) TSHRSMN1; SMN2NPSR1MAPTRAB9A
SCHEMBL795411 0.80 PKM (0.39) TSHRSMN1; SMN2NPSR1DHFRMAPT
SCHEMBL796817 0.80 SMN1; SMN2 (0.55) TSHRSMN1; SMN2NPSR1MAPTCYP1A2
SCHEMBL793651 0.80 RAB9A (0.43) TSHRSMN1; SMN2MAPTL3MBTL1RAB9A
SCHEMBL797064 0.80 NPC1 (0.51) SMN1; SMN2NPSR1MAPTMAPK1L3MBTL1
SCHEMBL795529 0.79 DHFR (0.36) TSHRSMN1; SMN2DHFRMAPTCYP1A2
SCHEMBL795381 0.79 MAPT (0.43) SMN1; SMN2DHFRMAPTCYP1A2CYP3A4

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 13 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-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-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
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 IMPDH2 1752/4885TSHR 1712/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 IMPDH2 1752/4885TSHR 1712/4885SMN1; SMN2 1684/4885

“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.