SCHEMBL795381

SCHEMBL795381

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cc4ccccc4o3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM4 Q14833 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
DHFR P00374 3/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL795529 0.85 DHFR (0.36) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL797078 0.82 MAPT (0.37) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL795503 0.81 NR1H4 (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL795410 0.81 RAB9A (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL795411 0.79 PKM (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL797097 0.79 IMPDH2 (0.37) MAPTSMN1; SMN2HSD17B10RAB9ACYP1A2
SCHEMBL793651 0.79 RAB9A (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL797064 0.79 NPC1 (0.51) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL795245 0.78 GRM5 (0.50) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL794285 0.78 RAB9A (0.42) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10

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 13 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

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 MAPT 2602/4885KDM4E 3067/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885KDM4E 3067/4885ALDH1A1 439/4885

“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.