SCHEMBL808015

SCHEMBL808015

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3C[C@@H]4[C@@H](COCC5CC5)[C@@H]4C3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL795125 1.00 L3MBTL1 (0.33) L3MBTL1ALDH1A1NPSR1MAPTTSHR
SCHEMBL808035 0.90 HRH4 (0.32) L3MBTL1ALDH1A1NPSR1MAPTTSHR
SCHEMBL795864 0.89 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPSR1MAPTTSHR
SCHEMBL795871 0.88 ALDH1A1 (0.31) L3MBTL1ALDH1A1NPSR1MAPTLMNA
SCHEMBL15480825 0.88 ALDH1A1 (0.31) L3MBTL1ALDH1A1NPSR1MAPTLMNA
SCHEMBL795412 0.88 TSHR (0.33) L3MBTL1ALDH1A1NPSR1MAPTTSHR
SCHEMBL15476989 0.87 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL15480826 0.87 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL796301 0.87 ALDH1A1 (0.33) L3MBTL1ALDH1A1NPSR1MAPTTSHR
SCHEMBL10287206 0.87 ALDH1A1 (0.33) L3MBTL1ALDH1A1NPSR1MAPTTSHR

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
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
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 L3MBTL1 4747/4885ALDH1A1 439/4885NPSR1 101/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885ALDH1A1 439/4885NPSR1 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.