SCHEMBL796039

SCHEMBL796039

CN(c1ccccc1)c1nc(N)nc(C#N)n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
TSHR P16473 2/20 0.72
LMNA P02545 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CTSK P43235 1/20 0.45
DHFR P00374 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17220005 0.86 TSHR (0.54) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL17220458 0.85 MAPT (0.52) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL17220093 0.85 MAPT (0.52) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL795723 0.84 MAPT (0.56) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL13363710 0.84 MAPT (1.00) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL17220379 0.83 MAPT (0.55) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL17220123 0.83 MAPT (0.55) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL14869412 0.83 DHFR (0.54) MAPTTSHRLMNASMN1; SMN2DHFR
SCHEMBL17220082 0.82 LMNA (0.50) MAPTTSHRLMNASMN1; SMN2DHFR
SCHEMBL17220463 0.81 MAPT (0.52) MAPTTSHRLMNASMN1; SMN2DHFR

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 MAPT 2602/4885TSHR 1712/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885TSHR 1712/4885LMNA 4798/4885

“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.