SCHEMBL796256

SCHEMBL796256

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
SYK P43405 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
GABRA5 P31644 3/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNA7 P36544 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL794750 0.86 SYK (0.41) ROCK1SYK
SCHEMBL795752 0.86 KMT2A (0.43) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL15477413 0.82 BACE2 (0.39) HDAC1HDAC8HDAC6GABRA5CHRNA7
SCHEMBL796467 0.80 MAPK1 (0.43) MAPK1CHRNA7
SCHEMBL15477205 0.77 DHFR (0.38) HDAC1HDAC8HDAC6GABRA5L3MBTL1
SCHEMBL795269 0.77 EPHX2 (0.39) NPC1RAB9AMAPTGABRA5L3MBTL1
SCHEMBL795379 0.76 ALOX5AP (0.46) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL10287123 0.75 POLB (0.41) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL795751 0.75 L3MBTL1 (0.45) HDAC1HDAC8HDAC6GABRA5L3MBTL1
SCHEMBL807929 0.74 ACHE (0.40) GABRA5

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 ROCK1 4181/4885ABL1 906/4885BCR 3640/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ROCK1 4181/4885ABL1 906/4885BCR 3640/4885

“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.