SCHEMBL795690

SCHEMBL795690

Cc1ccccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 2/20 0.48
PKM P14618 2/20 0.48
MITF O75030 1/20 0.48
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TSHR P16473 1/20 0.43
AHR P35869 1/20 0.43
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 3/20 0.41
HSP90AA1 P07900 1/20 0.41
NR1H4 Q96RI1 3/20 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
SCHEMBL795798 0.87 GRM5 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL797064 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL796383 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL795842 0.85 RAB9A (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL796455 0.85 NPC1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL795503 0.85 NR1H4 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
SCHEMBL796155 0.85 DHFR (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL793970 0.84 MAPT (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL795929 0.84 PKM (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL795514 0.83 RAB9A (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1PKM

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 13 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

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 NPC1 3204/4885RAB9A 4766/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885SMN1; SMN2 1684/4885

“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.