SCHEMBL796817

SCHEMBL796817

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccnc3)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.55
TP53 P04637 5/20 0.55
TSHR P16473 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA4 P43681 1/20 0.51
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
ATR Q13535 1/20 0.47
POLB P06746 2/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL795503 0.90 NR1H4 (0.47) SMN1; SMN2TP53TSHRNPSR1RAB9A
SCHEMBL796191 0.87 SMN1; SMN2 (0.51) SMN1; SMN2TP53TSHRNPSR1RAB9A
SCHEMBL796774 0.87 S1PR1 (0.41) SMN1; SMN2TP53TSHRNPSR1CHRNB2
SCHEMBL796391 0.86 DHFR (0.38) SMN1; SMN2TP53TSHRNPSR1RAB9A
SCHEMBL807927 0.86 SMN1; SMN2 (0.39) SMN1; SMN2TP53TSHRNPSR1CHRNB2
SCHEMBL797145 0.84 TP53 (0.36) SMN1; SMN2TP53TSHRNPSR1RAB9A
SCHEMBL796894 0.83 POLB (0.41) SMN1; SMN2TP53TSHRNPSR1RAB9A
SCHEMBL796775 0.83 DHFR (0.37) SMN1; SMN2TP53TSHRNPSR1RAB9A
SCHEMBL795514 0.83 RAB9A (0.53) SMN1; SMN2TP53TSHRNPSR1RAB9A
SCHEMBL796510 0.83 TP53 (0.37) SMN1; SMN2TP53TSHRNPSR1RAB9A

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 14 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-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-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
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 SMN1; SMN2 1684/4885TP53 4729/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885TP53 4729/4885TSHR 1712/4885

“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.