SCHEMBL798731

SCHEMBL798731

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3c[nH]cn3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
HSD17B10 Q99714 2/20 0.33
AHR P35869 1/20 0.33
TP53 P04637 2/20 0.32
PKM P14618 2/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL795360 0.83 PKM (0.48) MAPTSMN1; SMN2RAB9AHSD17B10TP53
SCHEMBL795411 0.82 PKM (0.39) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL795600 0.81 TSHR (0.37) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL15480817 0.81 DHFR (0.36) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL795503 0.81 NR1H4 (0.47) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL796219 0.80 TSHR (0.36) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL796894 0.80 POLB (0.41) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL795513 0.80 DHFR (0.37) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL796775 0.80 DHFR (0.37) DHFRMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL794285 0.80 RAB9A (0.42) DHFRMAPTSMN1; SMN2RAB9AHSD17B10

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 DHFR 1553/4885MAPT 2602/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 DHFR 1553/4885MAPT 2602/4885SMN1; 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.