SCHEMBL796278

SCHEMBL796278

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3Cl)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
TSHR P16473 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 6/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHFR P00374 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL795276 0.89 SMN1; SMN2 (0.35) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL795929 0.88 PKM (0.39) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL796206 0.87 SMN1; SMN2 (0.34) GRM5TSHRALDH1A1MEN1KMT2A
SCHEMBL795819 0.87 SMN1; SMN2 (0.36) GRM5TSHRALDH1A1MEN1KMT2A
SCHEMBL795838 0.87 MAPT (0.37) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL796384 0.85 NPC1 (0.42) GRM5ALDH1A1MEN1KMT2ATP53
SCHEMBL796437 0.85 KDM4E (0.40) GRM5TSHRALDH1A1KMT2ATP53
SCHEMBL795411 0.85 PKM (0.39) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL795488 0.85 GRM5 (0.41) GRM5TSHRALDH1A1MEN1KMT2A
SCHEMBL795966 0.85 S1PR1 (0.36) GRM5TSHRTP53MAPTNPC1

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 GRM5 67/4885TSHR 1712/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885TSHR 1712/4885ALDH1A1 439/4885

“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.