SCHEMBL795513

SCHEMBL795513

Cc1cccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.37
MAPT P10636 1/20 0.35
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
TP53 P04637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
GRM5 P41594 1/20 0.34
AHR P35869 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL795472 0.86 NPC1 (0.35) DHFRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL795360 0.85 PKM (0.48) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL794285 0.84 RAB9A (0.42) DHFRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL796055 0.83 ALOX5AP (0.36) DHFRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL795503 0.83 NR1H4 (0.47) DHFRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL795690 0.81 NPC1 (0.48) DHFRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL795514 0.81 RAB9A (0.53) DHFRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL796927 0.81 AURKA (0.41) DHFRMAPTNPC1TP53HSD17B10
SCHEMBL795411 0.81 PKM (0.39) DHFRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL15480817 0.81 DHFR (0.36) DHFRMAPTRAB9ASMN1; SMN2NPC1

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 DHFR 1553/4885MAPT 2602/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 DHFR 1553/4885MAPT 2602/4885RAB9A 4766/4885

“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.