SCHEMBL808035

SCHEMBL808035

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3C[C@@H]4[C@@H](COCc5ccccc5)[C@@H]4C3)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GHSR Q92847 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 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 0.90 L3MBTL1 (0.33) TSHRUSP2LMNAALOX15L3MBTL1
SCHEMBL808015 0.90 L3MBTL1 (0.33) TSHRUSP2LMNAALOX15L3MBTL1
SCHEMBL15480825 0.88 ALDH1A1 (0.31) LMNAL3MBTL1MAPTALDH1A1NPSR1
SCHEMBL795871 0.88 ALDH1A1 (0.31) LMNAL3MBTL1MAPTALDH1A1NPSR1
SCHEMBL795412 0.88 TSHR (0.33) TSHRUSP2LMNAALOX15L3MBTL1
SCHEMBL15476989 0.87 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL15480826 0.87 L3MBTL1 (0.30) L3MBTL1MAPT
SCHEMBL15480827 0.87 ACACB (0.33) TSHRUSP2LMNAALOX15L3MBTL1
SCHEMBL17226436 0.87 ACACB (0.33) TSHRUSP2LMNAALOX15L3MBTL1
SCHEMBL15477387 0.87 ACACB (0.33) TSHRUSP2LMNAALOX15L3MBTL1

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 HRH4 335/4885TSHR 1712/4885USP2 3711/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HRH4 335/4885TSHR 1712/4885USP2 3711/4885

“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.