SCHEMBL795346

SCHEMBL795346

CC(=O)c1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HCAR2 Q8TDS4 4/20 0.34
HDAC4 P56524 3/20 0.34
DHFR P00374 3/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
STAT3 P40763 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33

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
SCHEMBL796459 0.92 HDAC4 (0.33) ATRHDAC1HDAC6HCAR2HDAC4
SCHEMBL795809 0.89 MAPT (0.36) ATRHDAC1HDAC6MEN1KMT2A
SCHEMBL15480817 0.86 DHFR (0.36) ATRDHFRCYP2C9MEN1ALDH1A1
SCHEMBL796527 0.85 GRM5 (0.38) HCAR2DHFRALDH1A1
SCHEMBL794849 0.84 GABRA5 (0.42) HDAC1HDAC6HDAC4
SCHEMBL796056 0.84 NPC1 (0.41) DHFRMEN1ALDH1A1KMT2A
SCHEMBL796460 0.83 ATR (0.34) ATRHDAC1HDAC6HDAC4STAT3
SCHEMBL796822 0.83 HCAR2 (0.33) ATRHCAR2HDAC4DHFR
SCHEMBL797277 0.82 CASP3 (0.45) HDAC1HDAC4DHFRNPSR1STAT3
SCHEMBL795360 0.82 PKM (0.48) MEN1ALDH1A1TSHRKMT2ANPSR1

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 ATR 3900/4885HDAC1 288/4885HDAC6 130/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ATR 3900/4885HDAC1 288/4885HDAC6 130/4885

“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.