SCHEMBL796527

SCHEMBL796527

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(F)cn3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
DHFR P00374 3/20 0.34
HCAR2 Q8TDS4 4/20 0.34
KCNH2 Q12809 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KCNH3 Q9ULD8 1/20 0.32

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
SCHEMBL15480817 0.89 DHFR (0.36) DHFRMAPTALDH1A1HPGDHSD17B10
SCHEMBL797277 0.87 CASP3 (0.45) DHFR
SCHEMBL796056 0.86 NPC1 (0.41) GRM5DHFRMAPTALDH1A1HPGD
SCHEMBL795346 0.85 ATR (0.36) DHFRHCAR2ALDH1A1
SCHEMBL795360 0.84 PKM (0.48) GRM5MAPTALDH1A1HPGDHSD17B10
SCHEMBL793651 0.84 RAB9A (0.43) PTGS1PTGS2MAPTALDH1A1HPGD
SCHEMBL795563 0.84 HDAC4 (0.42) DHFRHCAR2MAPTKCNH3
SCHEMBL796822 0.84 HCAR2 (0.33) DHFRHCAR2MAPTHSD17B10
SCHEMBL808016 0.83 STAT3 (0.38) ALDH1A1
SCHEMBL795737 0.83 DHFR (0.35) GRM5DHFRPTGS1PTGS2MAPT

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 14 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
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 GRM5 67/4885DHFR 1553/4885HCAR2 643/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885DHFR 1553/4885HCAR2 643/4885

“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.