SCHEMBL796880

SCHEMBL796880

CN(c1ccccc1)c1nc(N)nc(-c2noc(C(=O)NCc3ccccc3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
KLKB1 P03952 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.40
DHFR P00374 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL10287151 0.88 LMNA (0.40) SMN1; SMN2LMNAKMT2AADORA2AKLKB1
SCHEMBL15477343 0.84 SCN9A (0.43) SMN1; SMN2LMNAKMT2AKLKB1POLB
SCHEMBL795621 0.80 CYP2D6 (0.45) SMN1; SMN2KMT2AMAPTNPC1RAB9A
SCHEMBL796182 0.80 HTT (0.46) SMN1; SMN2KMT2APOLBMAPTNPC1
SCHEMBL796177 0.77 LMNA (0.47) SMN1; SMN2LMNAKMT2APOLBMAPT
SCHEMBL796205 0.77 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL808194 0.77 DHFR (0.35) SMN1; SMN2KMT2AADORA2AADORA1MAPT
SCHEMBL796395 0.76 NPC1 (0.48) SMN1; SMN2KMT2AMAPTNPC1RAB9A
SCHEMBL795899 0.76 SMN1; SMN2 (0.39) SMN1; SMN2LMNAKMT2AADORA2AADORA1
SCHEMBL15476864 0.76 SCN10A (0.36) LMNAADORA2AADORA1

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 SMN1; SMN2 1684/4885LMNA 4798/4885KMT2A 3938/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885LMNA 4798/4885KMT2A 3938/4885

“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.