SCHEMBL795663

SCHEMBL795663

COCCN(c1ccccc1)c1nc(N)nc(C(=N)NO)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
DHFR P00374 6/20 0.34
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KCNA3 P22001 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KCNA5 P22460 1/20 0.31

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
SCHEMBL17220451 0.84 MAPT (0.45) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL17220137 0.81 TSHR (0.41) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL795662 0.81 TSHR (0.41) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL17220363 0.78 MAPT (0.33) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL795287 0.78 DHFR (0.41) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL17220160 0.77 DHFR (0.41) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL17220115 0.75 DHFR (0.44) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL796138 0.74 MAPT (0.59) MAPTDHFRNPC1JAK2RAB9A
SCHEMBL17220373 0.73 MTNR1A (0.40) DHFRNPC1
SCHEMBL795337 0.71 SMN1; SMN2 (0.38) MAPTRAB9AADORA2AADORA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 MAPT 2602/4885DHFR 1553/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885DHFR 1553/4885NPC1 3204/4885

“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.