SCHEMBL795092

SCHEMBL795092

Cc1ccc(N(C)c2nc(N)nc(-c3noc(-c4ccco4)n3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.43
NPC1 O15118 11/20 0.43
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 6/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 6/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
USP2 O75604 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
TP53 P04637 4/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 4/20 0.41
CASP3 P42574 2/20 0.41
MAPK1 P28482 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL796119 0.91 RAB9A (0.44) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL795410 0.91 RAB9A (0.47) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL795940 0.90 CASP3 (0.54) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL795920 0.88 SMN1; SMN2 (0.48) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL796148 0.88 TSHR (0.41) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL795418 0.84 SMN1; SMN2 (0.41) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL795368 0.84 NPC1 (0.40) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL795229 0.83 NPC1 (0.44) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL795474 0.83 CASP3 (0.46) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL796131 0.81 SMN1; SMN2 (0.45) RAB9ANPC1ALDH1A1HSD17B10MAPT

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 RAB9A 4766/4885NPC1 3204/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 RAB9A 4766/4885NPC1 3204/4885ALDH1A1 439/4885

“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.