SCHEMBL795186

SCHEMBL795186

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(S(C)(=O)=O)cc3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.46
CA2 P00918 10/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.44
PRKDC P78527 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
GHSR Q92847 1/20 0.38
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALOX5AP P20292 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL795503 0.88 NR1H4 (0.47) CA9CA2CA12CA1NPC1
SCHEMBL795514 0.85 RAB9A (0.53) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL793651 0.84 RAB9A (0.43) PTGS2PTGS1ATMNPC1NFKB1
SCHEMBL795543 0.84 NPC1 (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL796191 0.83 SMN1; SMN2 (0.51) CA9CA2CA12CA1NPC1
SCHEMBL795425 0.83 NR1H4 (0.56) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL796186 0.82 RAB9A (0.38) CA9CA2CA12CA1NPC1
SCHEMBL797145 0.81 TP53 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15477122 0.81 CASP3 (0.40) CA9CA2CA12CA1PTGS2
SCHEMBL15476356 0.80 ALOX5AP (0.37) CA9CA2CA12CA1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA9 4303/4885CA2 1817/4885CA12 4025/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CA9 4303/4885CA2 1817/4885CA12 4025/4885

“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.