SCHEMBL796153

SCHEMBL796153

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CCCCC3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
USP2 O75604 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL795325 0.99 RAB9A (0.45) RAB9ANPC1TSHRLMNAUSP2
SCHEMBL795473 0.90 PKM (0.50) RAB9ANPC1TSHRLMNAUSP2
SCHEMBL796379 0.89 ALDH1A1 (0.39) RAB9ANPC1TSHRLMNAUSP2
Hydrochloric Acid SCHEMBL17220045 0.88 DPP4 (0.40) RAB9ANPC1TSHRLMNAUSP2
SCHEMBL796506 0.87 L3MBTL1 (0.42) RAB9ANPC1TSHRLMNAUSP2
Hydrochloric Acid SCHEMBL17220461 0.87 L3MBTL1 (0.42) RAB9ANPC1TSHRLMNAUSP2
SCHEMBL17220055 0.86 FAAH (0.40) RAB9ANPC1LMNAALDH1A1L3MBTL1
SCHEMBL796566 0.86 L3MBTL1 (0.41) RAB9ANPC1TSHRLMNAUSP2
SCHEMBL795860 0.85 L3MBTL1 (0.37) RAB9ANPC1TSHRLMNAUSP2
SCHEMBL795019 0.85 ALDH1A1 (0.39) RAB9ANPC1TSHRLMNAUSP2

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 RAB9A 4766/4885NPC1 3204/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 RAB9A 4766/4885NPC1 3204/4885TSHR 1712/4885

“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.