SCHEMBL795798

SCHEMBL795798

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccccc3Cl)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 5/20 0.43
TP53 P04637 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL796174 0.89 NPC1 (0.43) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL796291 0.88 GPBAR1 (0.43) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL795690 0.87 NPC1 (0.48) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL795488 0.87 GRM5 (0.41) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL797064 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL795928 0.85 GRM5 (0.44) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL796278 0.84 GRM5 (0.39) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL795842 0.84 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TSHRTP53
SCHEMBL796455 0.84 NPC1 (0.40) GRM5NPC1RAB9ASMN1; SMN2TSHR

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 11 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
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 GRM5 67/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885NPC1 3204/4885RAB9A 4766/4885

“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.