SCHEMBL796196

SCHEMBL796196

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc[nH]3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
DHFR P00374 3/20 0.35
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
AHR P35869 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGFR P00533 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
PIM1 P11309 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 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
SCHEMBL795613 0.85 ATR (0.36) MAPTDHFRTSHRCYP1A2CYP3A4
SCHEMBL795503 0.83 NR1H4 (0.47) MAPTDHFRTSHRL3MBTL1SMN1; SMN2
SCHEMBL798701 0.82 MTOR (0.34) MAPTDHFRTSHRCYP1A2CYP3A4
SCHEMBL795411 0.81 PKM (0.39) MAPTDHFRTSHRCYP1A2CYP3A4
SCHEMBL796191 0.79 SMN1; SMN2 (0.51) MAPTTSHRSMN1; SMN2RAB9AHSD17B10
SCHEMBL795514 0.79 RAB9A (0.53) MAPTDHFRTSHRMAPK1L3MBTL1
SCHEMBL795690 0.79 NPC1 (0.48) MAPTDHFRTSHRCYP1A2MAPK1
SCHEMBL15476356 0.78 ALOX5AP (0.37) MAPTDHFRTSHRL3MBTL1SMN1; SMN2
SCHEMBL795360 0.78 PKM (0.48) MAPTTSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL795410 0.78 RAB9A (0.47) MAPTTSHRMAPK1SMN1; SMN2RAB9A

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 MAPT 2602/4885DHFR 1553/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885DHFR 1553/4885TSHR 1712/4885

“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.