SCHEMBL807960

SCHEMBL807960

Nc1nc(Nc2ccccc2)nc(-c2noc(N3CC(Oc4ccccc4)C3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.47
MAPT P10636 6/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
SCN9A Q15858 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CDK9 P50750 1/20 0.39

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
SCHEMBL796279 0.83 ALDH1A1 (0.40) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL796310 0.80 MAPT (0.42) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL794305 0.80 KDM4E (0.53) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL794822 0.80 ACACB (0.44) ACACBMAPTALDH1A1NPC1RAB9A
SCHEMBL15477225 0.79 MAPT (0.50) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL15482844 0.79 USP2 (0.38) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL796402 0.79 USP2 (0.38) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL15477416 0.77 CYP1A2 (0.40) ACACBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL808031 0.77 L3MBTL1 (0.39) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL15482835 0.77 ALDH1A1 (0.44) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A

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 9 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-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
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 ACACB 2165/4885MAPT 2602/4885KDM4E 3067/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ACACB 2165/4885MAPT 2602/4885KDM4E 3067/4885

“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.