SCHEMBL795946

SCHEMBL795946

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 4/20 0.47
TYK2 P29597 2/20 0.45
JAK1 P23458 1/20 0.45
MAPK1 P28482 1/20 0.45
BRAF P15056 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
GPR68 Q15743 1/20 0.40
RAD52 P43351 1/20 0.40
PTGES O14684 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL796727 0.88 KMT2A (0.49) SMN1; SMN2RAB9AKDM4ENPC1HTT
SCHEMBL793556 0.85 CDK2 (0.43) SMN1; SMN2RAB9AKDM4ENPC1MAPK1
SCHEMBL795741 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AKDM4ENPC1MAPK1
SCHEMBL795967 0.79 NTRK1 (0.43) SMN1; SMN2RAB9ANPC1HTTMAPK1
SCHEMBL796061 0.77 GRM5 (0.43) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL15477324 0.77 MAPK1 (0.49) SMN1; SMN2RAB9AKDM4ENPC1HTT
SCHEMBL796014 0.77 NPC1 (0.44) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL808334 0.77 MAP4K4 (0.42) SMN1; SMN2RAB9AKDM4ENPC1MAPK1
SCHEMBL22619755 0.77 HTT (0.66) SMN1; SMN2RAB9ANPC1HTTMAPK1
SCHEMBL31039805 0.77 HTT (0.66) SMN1; SMN2RAB9ANPC1HTTMAPK1

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 SMN1; SMN2 1684/4885RAB9A 4766/4885KDM4E 3067/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885RAB9A 4766/4885KDM4E 3067/4885

“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.