SCHEMBL796535

SCHEMBL796535

CN(c1nc(N)nc(C#N)n1)c1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DYRK1A Q13627 3/20 0.33
CTSL P07711 1/20 0.32
MPO P05164 1/20 0.31
ADORA2B P29275 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CHUK O15111 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17220467 0.89 MAPT (0.54) MAPTTSHRLMNASMN1; SMN2ADORA2A
SCHEMBL17220220 0.80 MAPT (0.55) MAPTTSHRLMNASMN1; SMN2ADORA2A
SCHEMBL17220329 0.79 MAPT (0.45) MAPTTSHRLMNASMN1; SMN2ADORA2A
SCHEMBL17220217 0.78 MAPT (0.54) MAPTTSHRLMNASMN1; SMN2ADORA2A
SCHEMBL17220379 0.76 MAPT (0.55) MAPTTSHRLMNASMN1; SMN2ADORA2A
SCHEMBL17220458 0.75 MAPT (0.52) MAPTTSHRLMNASMN1; SMN2ADORA2A
SCHEMBL796039 0.75 MAPT (0.72) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL17220148 0.74 MAPT (0.48) MAPTTSHRLMNASMN1; SMN2CRHBP
SCHEMBL17220369 0.73 TP53 (0.33) TSHR
SCHEMBL17220367 0.73 ADORA2A (0.31) ADORA2AADORA1

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 2602/4885TSHR 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.