SCHEMBL796292

SCHEMBL796292

Nc1nc(Nc2ccccc2)nc(-c2noc(N3CC4C(COCCC(F)(F)F)C4C3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 6/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15482843 1.00 ALDH1A1 (0.37) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL15482842 0.91 L3MBTL1 (0.38) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL794856 0.91 L3MBTL1 (0.38) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL17226431 0.86 L3MBTL1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL15482835 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL794707 0.86 L3MBTL1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL808031 0.86 L3MBTL1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL15480826 0.84 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL15476989 0.84 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL796279 0.84 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 ALDH1A1 439/4885L3MBTL1 4747/4885CYP1A2 32/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885L3MBTL1 4747/4885CYP1A2 32/4885

“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.