SCHEMBL795802

SCHEMBL795802

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 1/20 0.52
APEX1 P27695 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 6/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ADRB2 P07550 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 10/20 0.48
HTT P42858 5/20 0.48
TSHR P16473 4/20 0.48
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL796230 0.95 ALDH1A1 (0.47) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL795952 0.91 NPC1 (0.52) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL795438 0.91 GRM5 (0.48) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL796126 0.90 LMNA (0.53) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL796558 0.90 ALDH1A1 (0.43) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL15477347 0.88 GAA (0.42) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL797205 0.88 ALDH1A1 (0.42) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL808231 0.87 LMNA (0.48) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL796560 0.86 LMNA (0.45) ALDH1A1MAPTGAACYP2C9MEN1
SCHEMBL796389 0.85 LMNA (0.48) ALDH1A1MAPTGAACYP2C9MEN1

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 14 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
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 439/4885MAPT 2602/4885GAA 3290/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885MAPT 2602/4885GAA 3290/4885

“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.