SCHEMBL807780

SCHEMBL807780

Nc1nc(Nc2cccc(F)c2F)nc(-c2noc(-c3ccc(OCC4CC4)nc3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 2/20 0.34
WDR5 P61964 1/20 0.33
KLKB1 P03952 1/20 0.33
PTGES O14684 1/20 0.33
GABRA5 P31644 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
SCHEMBL15476996 0.93 SMN1; SMN2 (0.40) ACHES1PR1KDM4ENPC1USP2
SCHEMBL807929 0.85 ACHE (0.40) ACHES1PR1CNR2KLKB1GABRA5
SCHEMBL794640 0.81 ACHE (0.38) ACHES1PR1KLKB1GABRA5
SCHEMBL795445 0.77 ACHE (0.39) ACHES1PR1CNR2KLKB1GABRA5
SCHEMBL795645 0.75 ACHE (0.40) ACHES1PR1CNR2GABRA5
SCHEMBL15477205 0.73 DHFR (0.38) S1PR1ALDH1A1NPSR1GABRA5
SCHEMBL796122 0.73 GABRA5 (0.38) ACHES1PR1CNR2GABRA5
SCHEMBL796382 0.72 NPC1 (0.41) KDM4ENPC1USP2ALDH1A1MAPT
SCHEMBL795633 0.71 CNR2 (0.36) ACHES1PR1KDM4ENPC1USP2
SCHEMBL807919 0.71 MAPT (0.38) ACHES1PR1KDM4ENPC1USP2

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 ACHE 260/4885S1PR1 2345/4885KDM4E 3067/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ACHE 260/4885S1PR1 2345/4885KDM4E 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.