SCHEMBL796395

SCHEMBL796395

CN(c1ccccc1)c1nc(N)nc(-c2noc(Cc3ccccc3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
ALDH1A1 P00352 2/20 0.48
S1PR1 P21453 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
EGFR P00533 2/20 0.41
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
SCD O00767 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL797113 0.85 TSHR (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL795503 0.80 NR1H4 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1S1PR1
SCHEMBL795411 0.78 PKM (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL795209 0.77 DHFR (0.37) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL16394559 0.77 DHFR (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL796880 0.76 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL797216 0.76 CYP2D6 (0.35) SMN1; SMN2ALDH1A1S1PR1L3MBTL1MAPK1
SCHEMBL795690 0.76 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL795514 0.76 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1S1PR1
SCHEMBL796191 0.76 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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.