SCHEMBL796742

SCHEMBL796742

N=C(NO)c1nc(N)nc(Nc2cccc(F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA9 Q16790 1/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.42
RAD52 P43351 1/20 0.42
BRAF P15056 1/20 0.42
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
KDR P35968 2/20 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
SCHEMBL17220209 0.85 HDAC3 (0.48) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL796546 0.84 NPC1 (0.50) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL17220062 0.83 CGAS (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17220029 0.81 MAPK1 (0.57) MEN1KMT2ACA9MAPTBRAF
SCHEMBL17220381 0.80 APP (0.50) SMN1; SMN2MAPTPOLBLMNA
SCHEMBL17220225 0.80 ROCK1 (0.50) CA9GSK3BGSK3AKDRCDK2
SCHEMBL796743 0.80 TP53 (0.47) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL17220378 0.80 DHFR (0.43) NPC1RAB9AKDM4EALOX15TSHR
SCHEMBL17219917 0.77 TSHR (0.38) NPC1RAB9AKDM4ETSHRSMN1; SMN2
SCHEMBL17220339 0.76 RAB9A (0.45) MEN1KMT2ANPC1RAB9AKDM4E

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 7 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
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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.