SCHEMBL793556

SCHEMBL793556

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.43
CCNA2 P20248 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
GPR68 Q15743 1/20 0.40
RAD52 P43351 1/20 0.40
MAPK1 P28482 1/20 0.40
CDK5 Q00535 4/20 0.39

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
SCHEMBL795266 0.86 CDK9 (0.47) CDK2CCNA2MEN1KMT2AKDM4E
SCHEMBL795741 0.86 SMN1; SMN2 (0.43) CDK2CCNA2MEN1KMT2AKDM4E
SCHEMBL795946 0.85 SMN1; SMN2 (0.48) MEN1KMT2AKDM4ETP53RAB9A
SCHEMBL795967 0.85 NTRK1 (0.43) CDK2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL808334 0.83 MAP4K4 (0.42) CDK2CCNA2MEN1KMT2AKDM4E
SCHEMBL796061 0.83 GRM5 (0.43) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL15477324 0.83 MAPK1 (0.49) MEN1KMT2AKDM4ETP53RAB9A
SCHEMBL796014 0.83 NPC1 (0.44) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL808335 0.82 TP53 (0.39) CDK2CCNA2MEN1KMT2AKDM4E
SCHEMBL795451 0.80 NAMPT (0.39) RAB9ANPC1MAPK1GSK3BDYRK1A

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 CDK2 1171/4885CCNA2 1845/4885MEN1 4842/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CDK2 1171/4885CCNA2 1845/4885MEN1 4842/4885

“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.