SCHEMBL795653

SCHEMBL795653

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccnc3C(=O)NCC3CC3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.42
CNR1 P21554 11/20 0.39
CNR2 P34972 8/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2C9 P11712 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL795733 0.88 GRM5 (0.35) CNR1CNR2ADORA2AADORA1ALDH1A1
SCHEMBL795816 0.87 ALDH1A1 (0.36) CNR1CNR2ALDH1A1TP53HIF1A
SCHEMBL796879 0.87 KDM4E (0.37) CNR2ADORA2AALDH1A1HIF1A
SCHEMBL796331 0.87 ADORA2A (0.36) ADORA2AADORA1ALDH1A1
SCHEMBL808341 0.86 PTGIR (0.34) CNR2ALDH1A1TP53
SCHEMBL796525 0.85 GRM5 (0.40) ALDH1A1TP53
SCHEMBL796498 0.84 GRM5 (0.38) ALDH1A1TP53
SCHEMBL797207 0.82 KMT2A (0.34) ADORA2AALDH1A1TP53
SCHEMBL15477442 0.82 HIF1A (0.42) CNR1HIF1AMAPK14
SCHEMBL795217 0.79 HIF1A (0.35) HIF1A

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 KCNA5 570/4885CNR1 43/4885CNR2 15/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KCNA5 570/4885CNR1 43/4885CNR2 15/4885

“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.