SCHEMBL808336

SCHEMBL808336

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3C(=O)OCC3CC3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.34
ALDH1A1 P00352 2/20 0.33
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGDR Q13258 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CNR2 P34972 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
JMJD6 Q6NYC1 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL808341 0.87 PTGIR (0.34) PTGIRALDH1A1GRM5NPC1TP53
SCHEMBL795931 0.86 TDP1 (0.36) ALDH1A1GRM5NPC1TP53MAPT
SCHEMBL796521 0.86 KDM4E (0.33) ALDH1A1GRM5NPC1TP53MAPT
SCHEMBL795816 0.86 ALDH1A1 (0.36) ALDH1A1NPC1TP53SMN1; SMN2CNR2
SCHEMBL796437 0.85 KDM4E (0.40) ALDH1A1GRM5NPC1TP53MAPT
SCHEMBL808330 0.83 CNR2 (0.39) ALDH1A1RAB9AKMT2ACNR2
SCHEMBL10287138 0.81 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL795217 0.80 HIF1A (0.35) L3MBTL1
SCHEMBL796607 0.79 L3MBTL1 (0.32) NPC1TP53MAPTPKMRAB9A
SCHEMBL795258 0.78 GABRA5 (0.35) ALDH1A1GRM5NPC1

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-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
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 PTGIR 41/4885ALDH1A1 439/4885GRM5 67/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PTGIR 41/4885ALDH1A1 439/4885GRM5 67/4885

“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.