SCHEMBL795883

SCHEMBL795883

CC(=O)c1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
PRNP P04156 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
TP53 P04637 5/20 0.34
RAB9A P51151 5/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 4/20 0.34
PKM P14618 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 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
SCHEMBL797312 0.93 NR1H4 (0.39) ATRKMT2AALDH1A1TSHRNR1H4
SCHEMBL796202 0.92 SCN9A (0.37) ATRKMT2ANR1H4TP53RAB9A
SCHEMBL795660 0.91 ATR (0.41) ATRKMT2AMEN1NR1H4TP53
SCHEMBL797183 0.90 ALOX5AP (0.44) ATRKMT2AALDH1A1NR1H4TP53
SCHEMBL796247 0.87 ALOX5AP (0.36) ATRKMT2ANR1H4TP53RAB9A
SCHEMBL796510 0.86 TP53 (0.37) ATRKMT2AALDH1A1TSHRMEN1
SCHEMBL796337 0.86 MAPK14 (0.37) ATRKMT2ATSHRMEN1RAB9A
SCHEMBL797145 0.86 TP53 (0.36) KMT2AALDH1A1TSHRMEN1NPSR1
SCHEMBL795936 0.85 ALOX5AP (0.38) ATRKMT2AALDH1A1TSHRNPSR1
SCHEMBL796391 0.85 DHFR (0.38) ATRKMT2AALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
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-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US 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-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 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
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 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 3900/4885KMT2A 3938/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ATR 3900/4885KMT2A 3938/4885ALDH1A1 439/4885

“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.