SCHEMBL796894

SCHEMBL796894

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cnccn3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
TSHR P16473 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 6/20 0.39
PKM P14618 5/20 0.39
NPC1 O15118 5/20 0.39
TP53 P04637 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX5AP P20292 2/20 0.37
ATR Q13535 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 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
SCHEMBL795360 0.88 PKM (0.48) POLBSMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL796219 0.85 TSHR (0.36) SMN1; SMN2TSHRNPSR1RAB9APKM
SCHEMBL795411 0.84 PKM (0.39) SMN1; SMN2TSHRNPSR1RAB9APKM
SCHEMBL15480817 0.83 DHFR (0.36) SMN1; SMN2TSHRNPSR1RAB9APKM
SCHEMBL796817 0.83 SMN1; SMN2 (0.55) POLBSMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL796191 0.82 SMN1; SMN2 (0.51) SMN1; SMN2TSHRNPSR1RAB9APKM
SCHEMBL796527 0.82 GRM5 (0.38) ALDH1A1MAPTHPGDHSD17B10DHFR
SCHEMBL796055 0.81 ALOX5AP (0.36) SMN1; SMN2TSHRNPSR1RAB9APKM
SCHEMBL795503 0.81 NR1H4 (0.47) POLBSMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL796056 0.81 NPC1 (0.41) SMN1; SMN2RAB9APKMNPC1TP53

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 POLB 3927/4885SMN1; SMN2 1684/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 POLB 3927/4885SMN1; SMN2 1684/4885TSHR 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.