SCHEMBL796291

SCHEMBL796291

CN(c1cccc(F)c1)c1nc(N)nc(-c2noc(-c3ccccc3Cl)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.43
GRM5 P41594 3/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.38
HSP90AA1 P07900 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL795429 0.90 GRM5 (0.43) GPBAR1GRM5NPC1RAB9ATP53
SCHEMBL796174 0.89 NPC1 (0.43) GPBAR1GRM5NPC1RAB9ATP53
SCHEMBL795798 0.88 GRM5 (0.47) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL794754 0.86 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2L3MBTL1
SCHEMBL795368 0.82 NPC1 (0.40) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL795245 0.81 GRM5 (0.50) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL795361 0.81 ADORA2A (0.38) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL797131 0.80 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2L3MBTL1
SCHEMBL797064 0.80 NPC1 (0.51) NPC1RAB9ATP53SMN1; SMN2L3MBTL1
SCHEMBL796330 0.79 GRM5 (0.39) GRM5NPC1RAB9ATP53SMN1; SMN2

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 GPBAR1 166/4885GRM5 67/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GPBAR1 166/4885GRM5 67/4885NPC1 3204/4885

“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.