SCHEMBL795741

SCHEMBL795741

CC(C)NC(=O)c1nc(-c2nc(N)nc(Nc3cccc(F)c3)n2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 5/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
GPR68 Q15743 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL793556 0.86 CDK2 (0.43) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL796061 0.84 GRM5 (0.43) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL796014 0.84 NPC1 (0.44) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL795946 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL808334 0.82 MAP4K4 (0.42) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL795967 0.82 NTRK1 (0.43) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL808335 0.81 TP53 (0.39) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL795451 0.79 NAMPT (0.39) RAB9ANPC1MAPK1GSK3B
SCHEMBL15477324 0.78 MAPK1 (0.49) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL10286909 0.75 MAPK1 (0.34) SMN1; SMN2MAPTTP53POLBMEN1

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 10 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-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
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 SMN1; SMN2 1684/4885MAPT 2602/4885TP53 4729/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885MAPT 2602/4885TP53 4729/4885

“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.