SCHEMBL794874

SCHEMBL794874

COc1ccccc1-c1nc(-c2nc(N)nc(Nc3ccccc3)n2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.52
SMN1; SMN2 Q16637 12/20 0.51
RAB9A P51151 11/20 0.51
NPC1 O15118 10/20 0.51
ALDH1A1 P00352 10/20 0.51
TP53 P04637 9/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 4/20 0.51
HSD17B10 Q99714 7/20 0.50
KDM4E B2RXH2 6/20 0.50
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 5/20 0.48
MAPT P10636 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48

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
SCHEMBL796477 0.88 TP53 (0.49) AGPAT2SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL795842 0.77 RAB9A (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL27815706 0.77 AGPAT2 (0.61) AGPAT2SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL15477231 0.77 S1PR1 (0.50) AGPAT2SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL797110 0.75 KMT2A (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL2622388 0.75 AGPAT2 (0.88) AGPAT2SMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL795303 0.75 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL795357 0.75 ADORA2A (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL795935 0.75 RAB9A (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL796482 0.74 KMT2A (0.43) AGPAT2SMN1; SMN2RAB9ANPC1ALDH1A1

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 11 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
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 AGPAT2 2418/4885SMN1; SMN2 1684/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 AGPAT2 2418/4885SMN1; SMN2 1684/4885RAB9A 4766/4885

“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.