SCHEMBL796497

SCHEMBL796497

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ncccc3F)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
USP2 O75604 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 3/20 0.42
CDK9 P50750 1/20 0.41
GAA P10253 1/20 0.41
BCL6 P41182 2/20 0.40
ATR Q13535 1/20 0.38
AURKA O14965 2/20 0.38
NFKB1 P19838 2/20 0.38

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
SCHEMBL797445 0.89 TP53 (0.40) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL796837 0.86 CDK9 (0.46) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL795790 0.86 AURKA (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL796954 0.82 S1PR1 (0.39) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL795935 0.81 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL796206 0.77 SMN1; SMN2 (0.34) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL795357 0.76 ADORA2A (0.47) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL795661 0.76 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL16370775 0.76 BCL6 (0.54) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL796482 0.75 KMT2A (0.43) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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 10 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

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.