SCHEMBL796460

SCHEMBL796460

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(=O)CC(C)(O)c4ccc(-c5nc(-c6nc(N)nc(N(C)c7ccccc7)n6)no5)nc4)cn3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.34
STAT3 P40763 10/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
HDAC4 P56524 3/20 0.33
ALOX5AP P20292 2/20 0.33
HPGDS O60760 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL795346 0.83 ATR (0.36) ATRSTAT3HDAC4HDAC1HDAC6
SCHEMBL797277 0.81 CASP3 (0.45) STAT3S1PR1S1PR3S1PR5HDAC4
SCHEMBL795809 0.81 MAPT (0.36) ATRHPGDSHDAC1HDAC6
SCHEMBL794849 0.79 GABRA5 (0.42) HDAC4HPGDSHDAC1HDAC6
SCHEMBL15480817 0.78 DHFR (0.36) ATR
SCHEMBL796459 0.77 HDAC4 (0.33) ATRS1PR1S1PR3HDAC4HDAC1
SCHEMBL796527 0.77 GRM5 (0.38)
SCHEMBL796056 0.76 NPC1 (0.41) S1PR1
SCHEMBL796822 0.75 HCAR2 (0.33) ATRS1PR1S1PR3HDAC4
SCHEMBL808016 0.75 STAT3 (0.38) STAT3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US 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 ATR 3900/4885STAT3 1310/4885S1PR1 2345/4885

“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.