SCHEMBL794750

SCHEMBL794750

CS(=O)(=O)c1cccc(Nc2nc(N)nc(-c3noc(-c4ccc(OCC(F)(F)F)nc4)n3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.41
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
MGAT2 Q10469 1/20 0.39
ROCK1 Q13464 1/20 0.39
PTK2 Q05397 4/20 0.37
PTGS2 P35354 3/20 0.37
ALOX5AP P20292 1/20 0.36
PTGS1 P23219 1/20 0.36
S1PR1 P21453 1/20 0.36
RIPK2 O43353 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
EPHB4 P54760 1/20 0.35
GSK3B P49841 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
SCHEMBL796256 0.86 ROCK1 (0.42) SYKROCK1
SCHEMBL795752 0.86 KMT2A (0.43) CDK9MGAT2S1PR1
SCHEMBL15477413 0.82 BACE2 (0.39) GSK3B
SCHEMBL796467 0.80 MAPK1 (0.43) GSK3B
SCHEMBL15477205 0.77 DHFR (0.38) MGAT2S1PR1
SCHEMBL795269 0.77 EPHX2 (0.39) CDK9ALOX5AP
SCHEMBL795751 0.75 L3MBTL1 (0.45) MGAT2S1PR1
SCHEMBL807929 0.74 ACHE (0.40) CDK2S1PR1
SCHEMBL807919 0.74 MAPT (0.38) CDK9ALOX5APS1PR1
SCHEMBL795333 0.73 PIK3CA (0.41) S1PR1

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 10 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

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 SYK 815/4885CCNT1 2569/4885CCNE1 2768/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SYK 815/4885CCNT1 2569/4885CCNE1 2768/4885

“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.