SCHEMBL796999

SCHEMBL796999

Cc1cccc(N2C=NC=NC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ADRB1 P08588 1/20 0.40
HSP90AA1 P07900 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX5 P09917 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6369470 0.78 HPGD (0.38) MAPTGAARAB9ANPSR1
SCHEMBL7439040 0.67 L3MBTL1 (0.49) L3MBTL1ADRB1HSP90AA1MGLLALDH1A1
Iodide SCHEMBL27085269 0.67 L3MBTL1 (0.41) L3MBTL1ADRB1HSP90AA1MGLLALDH1A1
SCHEMBL6654238 0.66 LTA4H (0.41) MGLLTSHR
SCHEMBL22994399 0.65 L3MBTL1 (0.46) L3MBTL1ADRB1HSP90AA1MGLLALDH1A1
SCHEMBL25059367 0.64 ADRB1 (0.45) L3MBTL1ADRB1HSP90AA1MGLLALDH1A1
SCHEMBL9715330 0.64 ADRB1 (0.62) L3MBTL1ADRB1HSP90AA1MGLLALDH1A1
SCHEMBL10373770 0.64 ADRB1 (0.74) L3MBTL1ADRB1ALDH1A1KCNH2MAPT
SCHEMBL11103700 0.64 ADRB1 (0.74) L3MBTL1ADRB1ALDH1A1KCNH2MAPT
SCHEMBL9855189 0.63 L3MBTL1 (0.53) L3MBTL1ADRB1HSP90AA1MGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 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 (1 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 L3MBTL1 4747/4885ADRB1 33/4885HSP90AA1 2068/4885

“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.