SCHEMBL795258

SCHEMBL795258

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3C(=O)NCC(F)(F)F)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
GRM5 P41594 1/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
S1PR1 P21453 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL796331 0.87 ADORA2A (0.36) GABRA5ALDH1A1MAPK1GRM5ADORA2A
SCHEMBL795816 0.87 ALDH1A1 (0.36) GABRA5ALDH1A1NPC1NAPEPLD
SCHEMBL796437 0.86 KDM4E (0.40) ALDH1A1NPC1GRM5ADORA2AADORA1
SCHEMBL795931 0.84 TDP1 (0.36) ALDH1A1NPC1HPGDGRM5ADORA2A
SCHEMBL808330 0.83 CNR2 (0.39) ALDH1A1KDM4EGAA
SCHEMBL794849 0.83 GABRA5 (0.42) GABRA5
SCHEMBL795465 0.82 HDAC4 (0.39) GABRA5S1PR1NAPEPLD
SCHEMBL10287138 0.82 ALDH1A1 (0.39) ALDH1A1NPC1KDM4EGAA
SCHEMBL795966 0.80 S1PR1 (0.36) MAPK1NPC1GRM5ADORA2AADORA1
SCHEMBL794554 0.79 NPC1 (0.34) ALDH1A1NPC1HPGDGRM5S1PR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GABRA5 116/4885ALDH1A1 439/4885MAPK1 3234/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GABRA5 116/4885ALDH1A1 439/4885MAPK1 3234/4885

“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.