SCHEMBL808334

SCHEMBL808334

Nc1nc(Nc2cccc(F)c2)nc(-c2noc(C(=O)NC3COC3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 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
SCHEMBL795451 0.93 NAMPT (0.39) MAP4K4MAPK1GSK3BNPC1RAB9A
SCHEMBL796061 0.91 GRM5 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL796014 0.91 NPC1 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL808335 0.89 TP53 (0.39) MAPK1POLBMAPTGSK3AGSK3B
SCHEMBL793556 0.83 CDK2 (0.43) MAPK1POLBMAPTGSK3AGSK3B
SCHEMBL795741 0.82 SMN1; SMN2 (0.43) MAPK1POLBMAPTGSK3AGSK3B
SCHEMBL10286909 0.80 MAPK1 (0.34) MAPK1POLBMAPTGSK3AGSK3B
SCHEMBL15477324 0.80 MAPK1 (0.49) MAPK1POLBMAPTSMN1; SMN2TP53
SCHEMBL795967 0.79 NTRK1 (0.43) MAPK1POLBMAPTSMN1; SMN2MEN1
SCHEMBL795502 0.79 CYP2D6 (0.45) MAPTGSK3AGSK3BSMN1; SMN2MEN1

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 MAP4K4 2201/4885MAPK1 3234/4885POLB 3927/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAP4K4 2201/4885MAPK1 3234/4885POLB 3927/4885

“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.