SCHEMBL796607

SCHEMBL796607

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3N(C)C3CC3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
DHFR P00374 1/20 0.30
MAPT P10636 1/20 0.30

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 0.84 SMN1; SMN2 (0.35) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL795929 0.83 PKM (0.39) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL796437 0.82 KDM4E (0.40) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL795815 0.82 MERTK (0.34) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL796278 0.82 GRM5 (0.39) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL795819 0.82 SMN1; SMN2 (0.36) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL796206 0.82 SMN1; SMN2 (0.34) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL795838 0.82 MAPT (0.37) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL795966 0.82 S1PR1 (0.36) L3MBTL1SMN1; SMN2TSHRNPSR1NPC1
SCHEMBL795217 0.81 HIF1A (0.35) L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 L3MBTL1 4747/4885SMN1; SMN2 1684/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885SMN1; SMN2 1684/4885TSHR 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.