SCHEMBL796192

SCHEMBL796192

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCN(S(=O)(=O)CC(F)(F)F)C3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
GAA P10253 4/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL796389 0.95 LMNA (0.48) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL796519 0.93 LMNA (0.38) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL15477246 0.89 SMN1; SMN2 (0.49) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL15477137 0.87 LMNA (0.40) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL796126 0.86 LMNA (0.53) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL796230 0.86 ALDH1A1 (0.47) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL796302 0.84 LMNA (0.41) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL796560 0.84 LMNA (0.45) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL795391 0.84 SMN1; SMN2 (0.39) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL795952 0.84 NPC1 (0.52) LMNASMN1; SMN2GAAHTTTSHR

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 LMNA 4798/4885SMN1; SMN2 1684/4885GAA 3290/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LMNA 4798/4885SMN1; SMN2 1684/4885GAA 3290/4885

“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.