SCHEMBL795351

SCHEMBL795351

Nc1ccc(-c2nc(-c3nc(N)nc(Nc4cccc(F)c4)n3)no2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 2/20 0.38
SYK P43405 1/20 0.37
MAPT P10636 3/20 0.37
GRM5 P41594 2/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDR P35968 2/20 0.36

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
SCHEMBL795637 0.80 MAPT (0.43) TP53KDM4ERAB9AMEN1KMT2A
SCHEMBL797445 0.79 TP53 (0.40) BRAFTP53KDM4ERAB9AMEN1
SCHEMBL15477215 0.76 RAB9A (0.43) BRAFTP53KDM4ERAB9AMEN1
SCHEMBL796477 0.76 TP53 (0.49) TP53KDM4ERAB9AMEN1KMT2A
SCHEMBL793556 0.75 CDK2 (0.43) TP53KDM4ERAB9AMEN1KMT2A
SCHEMBL807929 0.74 ACHE (0.40)
SCHEMBL795602 0.74 GRM5 (0.52) TP53KDM4ERAB9ANPC1ALOX15
SCHEMBL10287200 0.74 MAPK1 (0.43) TP53KDM4ERAB9AMEN1KMT2A
SCHEMBL795935 0.73 RAB9A (0.48) TP53KDM4ERAB9AMEN1KMT2A
SCHEMBL16388438 0.73 RAB9A (0.48) BRAFTP53KDM4ERAB9AMEN1

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 11 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
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 BRAF 3741/4885TP53 4729/4885KDM4E 3067/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 BRAF 3741/4885TP53 4729/4885KDM4E 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.