SCHEMBL795682

SCHEMBL795682

Cc1cccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
RAB9A P51151 13/20 0.48
NPC1 O15118 11/20 0.48
SMN1; SMN2 Q16637 7/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP3 P42574 3/20 0.45
SENP7 Q9BQF6 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
TP53 P04637 4/20 0.44
GAA P10253 1/20 0.43
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL795503 0.90 NR1H4 (0.47) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL795526 0.88 NPC1 (0.50) GRM5RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL795245 0.88 GRM5 (0.50) GRM5RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL795514 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HSD17B10CASP3
SCHEMBL795939 0.86 NPC1 (0.60) GRM5RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL796775 0.83 DHFR (0.37) GRM5RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL796191 0.83 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2HSD17B10TSHR
SCHEMBL796817 0.82 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL795921 0.82 NPC1 (0.48) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL796445 0.82 S1PR1 (0.48) GRM5RAB9ANPC1SMN1; SMN2KDM4E

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