SCHEMBL796478

SCHEMBL796478

CN(c1ccccc1)c1nc(N)nc(-c2noc(C(=O)N3CC4C(COc5ccccc5)C4C3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.34
CPT2 P23786 3/20 0.34
KCNH2 Q12809 2/20 0.34
MCHR1 Q99705 2/20 0.34
SMPD1 P17405 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
DHFR P00374 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL15480830 1.00 CPT1A (0.34) CPT1ACPT2KCNH2MCHR1SMPD1
SCHEMBL795591 0.89 KCNH2 (0.33) KCNH2MCHR1DHFRL3MBTL1
SCHEMBL15480828 0.89 KCNH2 (0.33) KCNH2MCHR1DHFRL3MBTL1
SCHEMBL15480829 0.88 KCNH2 (0.36) CPT1ACPT2KCNH2MCHR1SCD5
SCHEMBL795523 0.88 KCNH2 (0.36) CPT1ACPT2KCNH2MCHR1SCD5
SCHEMBL15477411 0.87 ALDH1A1 (0.32) KCNH2MCHR1
SCHEMBL808327 0.87 ALDH1A1 (0.32) KCNH2MCHR1
SCHEMBL808345 0.87 KCNH2 (0.30) KCNH2MCHR1
SCHEMBL795797 0.87 KCNH2 (0.30) KCNH2MCHR1
SCHEMBL16406144 0.84 CPT2 (0.33) CPT1ACPT2KCNH2MCHR1

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 CPT1A 672/4885CPT2 897/4885KCNH2 830/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CPT1A 672/4885CPT2 897/4885KCNH2 830/4885

“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.