SCHEMBL795462

SCHEMBL795462

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCOCC3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP3 P42574 1/20 0.34

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
SCHEMBL807924 0.94 NAMPT (0.39) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL12467074 0.90 NPC1 (0.49) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL795636 0.89 NPC1 (0.38) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL795712 0.88 NPC1 (0.37) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL795905 0.87 NR1H4 (0.47) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL796453 0.86 DHFR (0.34) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL796105 0.85 DHFR (0.34) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL796086 0.85 NPC1 (0.35) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL796558 0.84 ALDH1A1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL796433 0.84 TLR9 (0.36) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2

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 4766/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885ALDH1A1 439/4885

“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.