SCHEMBL795057

SCHEMBL795057

Nc1nc(Nc2ccccc2)nc(-c2noc(C(=O)N3CCC(SCC(F)(F)F)CC3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.36
BTK Q06187 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL15476949 0.86 KCNH2 (0.42) MAPTUSP2GAALMNAKCNH2
SCHEMBL795657 0.84 HDAC4 (0.40) MAPTUSP2GAALMNAKCNH2
SCHEMBL807783 0.84 KCNH2 (0.36) MAPTLMNAKCNH2MCHR1HTT
SCHEMBL796307 0.82 KDM4E (0.48) MAPTUSP2GAALMNAKCNH2
SCHEMBL795836 0.82 SMN1; SMN2 (0.43) MAPTUSP2GAALMNAKCNH2
SCHEMBL15477367 0.80 KCNH2 (0.44) MAPTUSP2GAALMNAKCNH2
SCHEMBL796454 0.78 KDM4E (0.48) MAPTUSP2LMNASMN1; SMN2HTT
SCHEMBL15482841 0.76 TSHR (0.47) MAPTUSP2GAALMNASMN1; SMN2
SCHEMBL795967 0.74 NTRK1 (0.43) MAPTUSP2SMN1; SMN2HTTRAB9A
SCHEMBL795266 0.73 CDK9 (0.47) MAPTUSP2GAALMNASMN1; SMN2

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 11 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
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 MAPT 2602/4885USP2 3711/4885GAA 3290/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885USP2 3711/4885GAA 3290/4885

“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.