SCHEMBL795997

SCHEMBL795997

COC(=O)c1nccc(C2CC2)c1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
ADORA2A P29274 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA2B P29275 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
HCRTR2 O43614 5/20 0.30
HCRTR1 O43613 4/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GPR65 Q8IYL9 2/20 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
SCHEMBL796111 0.87 HCRTR1 (0.34) L3MBTL1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL795998 0.83 HCRTR1 (0.32) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL796498 0.82 GRM5 (0.38) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL795931 0.77 TDP1 (0.36) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL795549 0.76 HDAC6 (0.41) ADORA2AADORA3ADORA1ADORA2BNPC1
SCHEMBL795809 0.76 MAPT (0.36) L3MBTL1KDM4ENPC1RAB9A
SCHEMBL797207 0.75 KMT2A (0.34) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL795733 0.75 GRM5 (0.35) ADORA2AKDM4EALDH1A1ADORA1HCRTR2
SCHEMBL797183 0.75 ALOX5AP (0.44) ADORA2AALDH1A1ADORA3ADORA1NR1H4
SCHEMBL808341 0.75 PTGIR (0.34) KDM4EALDH1A1HPGDHSD17B10HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 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 (1 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 L3MBTL1 4747/4885ADORA2A 244/4885KDM4E 3067/4885

“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.