SCHEMBL797277

SCHEMBL797277

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(F)(F)F)cn3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.45
STAT3 P40763 4/20 0.37
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 1/20 0.33
DHFR P00374 1/20 0.33
CHUK O15111 1/20 0.33
TXNRD1 Q16881 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
LIPE Q05469 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL796527 0.87 GRM5 (0.38) DHFR
SCHEMBL808016 0.87 STAT3 (0.38) CASP3STAT3NPSR1HDAC4HDAC1
SCHEMBL15480817 0.86 DHFR (0.36) NPSR1KDM4EDHFRLMNA
SCHEMBL796056 0.84 NPC1 (0.41) KDM4ES1PR1DHFRLMNA
SCHEMBL795949 0.84 HDAC4 (0.33) CASP3STAT3S1PR1S1PR3S1PR5
SCHEMBL795563 0.83 HDAC4 (0.42) HDAC4HDAC1DHFRPOLB
SCHEMBL795257 0.82 HDAC4 (0.35) S1PR1S1PR3S1PR5HDAC4HDAC1
SCHEMBL795346 0.82 ATR (0.36) STAT3NPSR1HDAC4HDAC1DHFR
SCHEMBL795360 0.82 PKM (0.48) NPSR1KDM4EPOLBLMNA
SCHEMBL796460 0.81 ATR (0.34) STAT3S1PR1S1PR3S1PR5HDAC4

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 13 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-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-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
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 CASP3 2021/4885STAT3 1310/4885NPSR1 101/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CASP3 2021/4885STAT3 1310/4885NPSR1 101/4885

“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.