SCHEMBL796672

SCHEMBL796672

N#Cc1nc(N)nc(Nc2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
BCL6 P41182 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL6235242 0.88 CTSK (0.76) CTSKTDP1MAPTKMT2AADORA2A
SCHEMBL17219998 0.82 CTSK (0.62) CTSKMAPTKMT2ANPC1RAB9A
SCHEMBL17219933 0.82 CTSL (0.62) CTSKMAPTKMT2ANPC1ADORA2A
SCHEMBL2253957 0.82 GAA (0.69) TDP1MAPTKMT2ANPC1HTT
SCHEMBL29900287 0.82 NPC1 (0.68) TDP1MAPTKMT2ANPC1HTT
SCHEMBL183118 0.82 NPC1 (0.68) TDP1MAPTKMT2ANPC1HTT
Arsenic SCHEMBL28153612 0.80 NPC1 (0.66) TDP1MAPTKMT2ANPC1HTT
Hydrochloric Acid SCHEMBL9457998 0.80 NPC1 (0.66) TDP1MAPTKMT2ANPC1HTT
SCHEMBL29079539 0.78 MAPT (0.64) TDP1MAPTKMT2ANPC1HTT
SCHEMBL26418166 0.77 NPC1 (0.58) TDP1MAPTKMT2ANPC1HTT

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 7 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
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 CTSK 3321/4885TDP1 4176/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CTSK 3321/4885TDP1 4176/4885MAPT 2602/4885

“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.