SCHEMBL795250

SCHEMBL795250

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(COCC(F)(F)F)cc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.37
SMPD1 P17405 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 2/20 0.34
NR1H4 Q96RI1 2/20 0.33
HDAC1 Q13547 1/20 0.33
GHSR Q92847 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL795506 0.88 HDAC6 (0.38) S1PR1HDAC6HDAC8HDAC1
SCHEMBL795949 0.88 HDAC4 (0.33) S1PR1HDAC4HDAC1
SCHEMBL795870 0.84 ALDH1A1 (0.34) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL796316 0.84 HDAC1 (0.38) S1PR1ALDH1A1HDAC6HDAC8HDAC1
SCHEMBL795542 0.83 SCN9A (0.41) S1PR1ALDH1A1HDAC6HDAC8HDAC4
SCHEMBL796094 0.83 SCN9A (0.36) S1PR1HDAC6HDAC8HDAC4HDAC1
SCHEMBL795443 0.82 GRM5 (0.30)
SCHEMBL795503 0.82 NR1H4 (0.47) S1PR1ALDH1A1NR1H4NPC1TP53
SCHEMBL793651 0.81 RAB9A (0.43) S1PR1ALDH1A1NR1H4NPC1TP53
SCHEMBL808028 0.80 S1PR1 (0.40) S1PR1HDAC6HDAC8HDAC1

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 S1PR1 2345/4885SMPD1 4195/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 S1PR1 2345/4885SMPD1 4195/4885ALDH1A1 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.