SCHEMBL795871

SCHEMBL795871

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CC4C(COCC(F)(F)F)C4C3)n2)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15480825 1.00 ALDH1A1 (0.31) ALDH1A1LMNANPSR1L3MBTL1MAPT
SCHEMBL15480826 0.93 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL15476989 0.93 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL808015 0.88 L3MBTL1 (0.33) ALDH1A1LMNANPSR1L3MBTL1MAPT
SCHEMBL808035 0.88 HRH4 (0.32) ALDH1A1LMNANPSR1L3MBTL1MAPT
SCHEMBL795125 0.88 L3MBTL1 (0.33) ALDH1A1LMNANPSR1L3MBTL1MAPT
SCHEMBL794909 0.87 L3MBTL1 (0.36) ALDH1A1LMNANPSR1L3MBTL1MAPT
SCHEMBL795412 0.86 TSHR (0.33) ALDH1A1LMNANPSR1L3MBTL1MAPT
SCHEMBL808338 0.86 ALDH1A1 (0.35) ALDH1A1LMNANPSR1L3MBTL1MAPT
SCHEMBL15477387 0.85 ACACB (0.33) ALDH1A1LMNANPSR1L3MBTL1MAPT

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 6 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
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 ALDH1A1 439/4885LMNA 4798/4885NPSR1 101/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885LMNA 4798/4885NPSR1 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.