SCHEMBL795661

SCHEMBL795661

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3nccs3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CDK9 P50750 1/20 0.41
BCL6 P41182 1/20 0.41
HTT P42858 3/20 0.40
GAA P10253 1/20 0.39
SYK P43405 8/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL795366 0.89 SYK (0.51) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795935 0.80 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795124 0.76 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2MAPTTSHR
SCHEMBL796837 0.76 CDK9 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL796497 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795357 0.75 ADORA2A (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795231 0.74 MAPT (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL795790 0.73 AURKA (0.41) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL797110 0.73 KMT2A (0.44) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL15477231 0.73 S1PR1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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-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
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 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.