SCHEMBL798701

SCHEMBL798701

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncc[nH]3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.34
ADK P55263 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
DHFR P00374 3/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 3/20 0.32

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
SCHEMBL795411 0.84 PKM (0.39) DHFRTSHRMAPTCYP1A2CYP3A4
SCHEMBL796196 0.82 MAPT (0.35) DHFRTSHRMAPTCYP1A2CYP3A4
SCHEMBL795503 0.81 NR1H4 (0.47) DHFRTSHRMAPTL3MBTL1ADORA3
SCHEMBL795360 0.81 PKM (0.48) TSHRMAPTL3MBTL1SMN1; SMN2NPSR1
SCHEMBL795734 0.80 MAPT (0.35) DHFRTSHRMAPTCYP1A2CYP3A4
SCHEMBL796191 0.80 SMN1; SMN2 (0.51) TSHRMAPTSMN1; SMN2NPSR1RAB9A
SCHEMBL796455 0.79 NPC1 (0.40) DHFRTSHRMAPTMAPK1L3MBTL1
SCHEMBL795613 0.79 ATR (0.36) DHFRTSHRMAPTCYP1A2CYP3A4
SCHEMBL795276 0.79 SMN1; SMN2 (0.35) DHFRTSHRMAPTCYP1A2CYP3A4
SCHEMBL796219 0.78 TSHR (0.36) DHFRTSHRMAPTCYP1A2CYP3A4

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 13 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

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 MTOR 2697/4885ADK 1642/4885NISCH 1127/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MTOR 2697/4885ADK 1642/4885NISCH 1127/4885

“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.