SCHEMBL796477

SCHEMBL796477

COc1ccccc1-c1nc(-c2nc(N)nc(Nc3cccc(F)c3)n2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAD52 P43351 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
AGPAT2 O15120 1/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 3/20 0.45
GAA P10253 2/20 0.45

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
SCHEMBL794874 0.88 AGPAT2 (0.52) TP53MAPTPOLBMEN1KMT2A
SCHEMBL794754 0.78 NPC1 (0.46) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL795637 0.78 MAPT (0.43) TP53MAPTPOLBMEN1KMT2A
SCHEMBL793556 0.76 CDK2 (0.43) TP53MAPTPOLBMEN1KMT2A
SCHEMBL797445 0.76 TP53 (0.40) TP53MAPTPOLBMEN1KMT2A
SCHEMBL795351 0.76 BRAF (0.40) TP53MAPTPOLBMEN1KMT2A
SCHEMBL795741 0.75 SMN1; SMN2 (0.43) TP53MAPTPOLBMEN1KMT2A
SCHEMBL15477215 0.75 RAB9A (0.43) TP53MAPTPOLBMEN1KMT2A
SCHEMBL795946 0.74 SMN1; SMN2 (0.48) TP53MAPTPOLBMEN1KMT2A
SCHEMBL796954 0.74 S1PR1 (0.39) TP53MAPTPOLBMEN1KMT2A

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 TP53 4729/4885MAPT 2602/4885POLB 3927/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TP53 4729/4885MAPT 2602/4885POLB 3927/4885

“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.