SCHEMBL795590

SCHEMBL795590

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3N3CCOCC3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
PIK3CA P42336 2/20 0.35
PIK3R1 P27986 2/20 0.35
NCF1 P14598 2/20 0.35
METAP1 P53582 1/20 0.35
PIK3CD O00329 2/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
S1PR1 P21453 1/20 0.34
BRAF P15056 1/20 0.34
NOS1 P29475 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL795276 0.82 SMN1; SMN2 (0.35) PKMALDH1A1LMNATSHRATR
SCHEMBL795473 0.81 PKM (0.50) PKMALDH1A1LMNATSHRFGFR1
SCHEMBL795929 0.81 PKM (0.39) PKMALDH1A1LMNATSHRMAPT
SCHEMBL796278 0.81 GRM5 (0.39) PKMALDH1A1TSHRMAPTMAPK1
SCHEMBL795819 0.81 SMN1; SMN2 (0.36) PKMALDH1A1LMNATSHRATR
SCHEMBL796206 0.81 SMN1; SMN2 (0.34) PKMALDH1A1LMNATSHRATR
SCHEMBL795838 0.81 MAPT (0.37) PKMALDH1A1LMNATSHRMAPT
SCHEMBL795595 0.80 PKM (0.44) PKMALDH1A1LMNATSHRATR
SCHEMBL796437 0.79 KDM4E (0.40) PKMALDH1A1LMNATSHRATR
SCHEMBL796384 0.79 NPC1 (0.42) PKMALDH1A1MAPTL3MBTL1

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 PKM 1412/4885ALDH1A1 439/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PKM 1412/4885ALDH1A1 439/4885LMNA 4798/4885

“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.