SCHEMBL795379

SCHEMBL795379

COC(=O)c1ccc(-c2nc(-c3nc(N)nc(Nc4ccccc4)n3)no2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.46
MAPT P10636 5/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNA7 P36544 1/20 0.39
GPR68 Q15743 1/20 0.39
TP53 P04637 2/20 0.39
CDK9 P50750 1/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL797183 0.82 ALOX5AP (0.44) ALOX5APMAPTNPC1ALDH1A1RAB9A
SCHEMBL795505 0.78 ALOX5AP (0.41) ALOX5APMAPTNPC1ALDH1A1RAB9A
SCHEMBL807919 0.77 MAPT (0.38) ALOX5APMAPTNPC1ALDH1A1RAB9A
SCHEMBL796256 0.76 ROCK1 (0.42) MAPTNPC1RAB9AKDM4ETSHR
SCHEMBL795752 0.76 KMT2A (0.43) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL15477231 0.75 S1PR1 (0.50) ALOX5APMAPTNPC1ALDH1A1RAB9A
SCHEMBL796727 0.74 KMT2A (0.49) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL795269 0.74 EPHX2 (0.39) ALOX5APMAPTNPC1ALDH1A1RAB9A
SCHEMBL795266 0.74 CDK9 (0.47) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL796276 0.74 NPC1 (0.37) MAPTNPC1ALDH1A1RAB9AKMT2A

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 10 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-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
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 ALOX5AP 305/4885MAPT 2602/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALOX5AP 305/4885MAPT 2602/4885NPC1 3204/4885

“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.