SCHEMBL808031

SCHEMBL808031

Nc1nc(Nc2ccccc2)nc(-c2noc(N3C[C@@H]4[C@@H](COCC5CC5)[C@@H]4C3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
USP2 O75604 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17226431 1.00 L3MBTL1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL794707 1.00 L3MBTL1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL15482835 0.89 ALDH1A1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL796450 0.89 SMN1; SMN2 (0.45) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL15482842 0.87 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL794856 0.87 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL796279 0.87 ALDH1A1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL15482844 0.86 USP2 (0.38) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL796402 0.86 USP2 (0.38) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL15482843 0.86 ALDH1A1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4

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 4 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-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
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 439/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885ALDH1A1 439/4885SMN1; SMN2 1684/4885

“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.