SCHEMBL796111

SCHEMBL796111

COC(=O)c1c(C2CC2)ccnc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 6/20 0.34
ADORA2A P29274 4/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA1 P30542 3/20 0.32
ADORA2B P29275 1/20 0.32
PTGS1 P23219 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4C Q9H3R0 1/20 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
SCHEMBL795997 0.87 L3MBTL1 (0.32) HCRTR1HCRTR2ADORA2AADORA3ADORA1
SCHEMBL796112 0.82 KDM4E (0.33) HCRTR1HCRTR2L3MBTL1
SCHEMBL795931 0.82 TDP1 (0.36) ADORA2AADORA3ADORA1L3MBTL1
SCHEMBL796521 0.77 KDM4E (0.33) HCRTR1HCRTR2ADORA2AL3MBTL1KDM6B
SCHEMBL796437 0.77 KDM4E (0.40) ADORA2AADORA3ADORA1L3MBTL1
SCHEMBL808330 0.77 CNR2 (0.39)
SCHEMBL796498 0.77 GRM5 (0.38) L3MBTL1
SCHEMBL808336 0.76 PTGIR (0.34) HCRTR1HCRTR2L3MBTL1
SCHEMBL795809 0.76 MAPT (0.36) L3MBTL1
SCHEMBL795816 0.75 ALDH1A1 (0.36) HCRTR1

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 HCRTR1 537/4885HCRTR2 204/4885ADORA2A 244/4885

“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.