SCHEMBL796783

SCHEMBL796783

N=C(NO)c1nc(N)nc(Nc2cccc(Cl)c2F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 2/20 0.38
NCOA1 Q15788 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GAA P10253 1/20 0.36
TSHR P16473 3/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
JAK2 O60674 1/20 0.35
TNF P01375 1/20 0.35
HTT P42858 1/20 0.35
NOD1 Q9Y239 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17219917 0.88 TSHR (0.38) LMNARAB9ANPC1MAPTNCOA1
SCHEMBL17220447 0.85 NPC1 (0.43) RAB9ANPC1MAPTNCOA1L3MBTL1
SCHEMBL17220339 0.82 RAB9A (0.45) RAB9ANPC1MAPTNCOA1L3MBTL1
SCHEMBL796781 0.81 LMNA (0.40) LMNARAB9ANPC1MAPTNCOA1
SCHEMBL796782 0.81 LMNA (0.40) LMNARAB9ANPC1MAPTNCOA1
SCHEMBL17220081 0.79 NPC1 (0.43) LMNARAB9ANPC1TSHRHDAC3
SCHEMBL17219954 0.79 TSHR (0.54) LMNARAB9ANPC1MAPTNCOA1
SCHEMBL17220029 0.77 MAPK1 (0.57) MAPTHTTKMT2A
SCHEMBL17220209 0.75 HDAC3 (0.48) LMNARAB9ANPC1MAPTGAA
SCHEMBL796742 0.75 TP53 (0.47) LMNARAB9ANPC1MAPTTSHR

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 7 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
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 4798/4885RAB9A 4766/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LMNA 4798/4885RAB9A 4766/4885NPC1 3204/4885

“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.