SCHEMBL796330

SCHEMBL796330

CN(c1cccc(F)c1)c1nc(N)nc(-c2noc(-c3ncccc3F)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
TP53 P04637 3/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 1/20 0.33
DHFR P00374 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK14 Q16539 2/20 0.31
PDPK1 O15530 1/20 0.31
PIK3CA P42336 1/20 0.31
SCD O00767 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
SCHEMBL796073 0.90 GRM4 (0.38) GRM5TP53TSHRSMN1; SMN2NPSR1
SCHEMBL796206 0.90 SMN1; SMN2 (0.34) GRM5TP53ATRDHFRTSHR
SCHEMBL794788 0.89 SMN1; SMN2 (0.33) GRM5TP53TSHRSMN1; SMN2NPSR1
SCHEMBL796280 0.84 SMN1; SMN2 (0.34) GRM5TP53ATRATRIPTSHR
SCHEMBL795368 0.81 NPC1 (0.40) GRM5TP53ABCG2TSHRSMN1; SMN2
SCHEMBL795737 0.80 DHFR (0.35) GRM5TP53DHFRSMN1; SMN2MEN1
SCHEMBL795361 0.80 ADORA2A (0.38) GRM5TP53ABCG2SMN1; SMN2MEN1
SCHEMBL795276 0.79 SMN1; SMN2 (0.35) TP53ATRDHFRTSHRSMN1; SMN2
SCHEMBL796291 0.79 GPBAR1 (0.43) GRM5TP53ABCG2TSHRSMN1; SMN2
SCHEMBL797131 0.79 NPC1 (0.42) TP53TSHRSMN1; SMN2NPSR1MEN1

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 67/4885TP53 4729/4885ABCG2 1007/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885TP53 4729/4885ABCG2 1007/4885

“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.