SCHEMBL795489

SCHEMBL795489

Nc1nc(Nc2ccccc2)nc(-c2noc(C(=O)NC3CCc4ccccc43)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
HTT P42858 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.41
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TAS1R2 Q8TE23 3/20 0.39
MAPT P10636 1/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL15477245 0.90 TAS1R3 (0.47) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL796314 0.84 CDK9 (0.40) ADORA2AHTTTSHRALDH1A1KMT2A
SCHEMBL797068 0.83 CYP2D6 (0.48) HTTTSHRALDH1A1KMT2AMEN1
SCHEMBL795502 0.83 CYP2D6 (0.45) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL795266 0.77 CDK9 (0.47) HTTTSHRALDH1A1KMT2AMEN1
SCHEMBL796454 0.76 KDM4E (0.48) HTTTSHRALDH1A1KMT2AMEN1
SCHEMBL808335 0.75 TP53 (0.39) ADORA2ATSHRKMT2AMEN1MAPT
SCHEMBL15482841 0.74 TSHR (0.47) HTTTSHRALDH1A1KMT2AMEN1
SCHEMBL796307 0.73 KDM4E (0.48) HTTTSHRALDH1A1KMT2AMEN1
SCHEMBL796061 0.73 GRM5 (0.43) KMT2AMEN1

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 ADORA2A 244/4885HTT 3966/4885PDE4A 420/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ADORA2A 244/4885HTT 3966/4885PDE4A 420/4885

“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.