SCHEMBL808335

SCHEMBL808335

Nc1nc(Nc2cccc(F)c2)nc(-c2noc(C(=O)NC3Cc4ccccc4C3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.38
ADORA2A P29274 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
CDK2 P24941 2/20 0.36
RAD52 P43351 1/20 0.36
CCNA2 P20248 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3B P49841 2/20 0.35

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
SCHEMBL796314 0.90 CDK9 (0.40) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL796014 0.89 NPC1 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL808334 0.89 MAP4K4 (0.42) TP53MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL796061 0.89 GRM5 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL795451 0.86 NAMPT (0.39) NPC1RAB9AMAPK1GSK3BDYRK1A
SCHEMBL793556 0.82 CDK2 (0.43) TP53MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL795741 0.81 SMN1; SMN2 (0.43) TP53MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL795502 0.79 CYP2D6 (0.45) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL797068 0.79 CYP2D6 (0.48) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL10286909 0.79 MAPK1 (0.34) TP53MEN1KMT2ASMN1; SMN2KDM4E

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 9 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
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 TP53 4729/4885MEN1 4842/4885KMT2A 3938/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TP53 4729/4885MEN1 4842/4885KMT2A 3938/4885

“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.