SCHEMBL797044

SCHEMBL797044

COc1cccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4F)n3)no2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.53
RAB9A P51151 11/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
TP53 P04637 5/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
GRM5 P41594 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 6/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL795939 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL797127 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL795859 0.81 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL794699 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL797029 0.80 RAB9A (0.44) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL795942 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL796280 0.77 SMN1; SMN2 (0.34) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL795228 0.77 ADORA2A (0.38) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL796523 0.76 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL796131 0.76 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2TP53NFKB1

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 14 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
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 NPC1 3204/4885RAB9A 4766/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885SMN1; SMN2 1684/4885

“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.