SCHEMBL796248

SCHEMBL796248

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CCN(C(=O)C(F)(F)F)CC3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
ALOX5AP P20292 1/20 0.37
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
HDAC4 P56524 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMO Q99835 5/20 0.35
RAB9A P51151 1/20 0.34
ERG P11308 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RY12 Q9H244 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL17220055 0.90 FAAH (0.40) FAAHALOX5APLMNAMAPTTP53
SCHEMBL795745 0.84 LMNA (0.42) LMNASMN1; SMN2
SCHEMBL796294 0.84 SMO (0.39) ALOX5APLMNAMAPTTP53THRB
SCHEMBL795325 0.83 RAB9A (0.45) LMNAMAPTNPC1ALDH1A1L3MBTL1
SCHEMBL796379 0.83 ALDH1A1 (0.39) LMNAMAPTNPC1ALDH1A1L3MBTL1
SCHEMBL796153 0.82 RAB9A (0.44) LMNAMAPTNPC1HTTALDH1A1
SCHEMBL795473 0.81 PKM (0.50) LMNAMAPTNPC1ALDH1A1L3MBTL1
SCHEMBL795399 0.81 ALDH1A1 (0.33) ALOX5APLMNAMAPTNPC1HTT
SCHEMBL796506 0.81 L3MBTL1 (0.42) ALOX5APLMNANPC1ALDH1A1L3MBTL1
SCHEMBL795019 0.80 ALDH1A1 (0.39) LMNANPC1ALDH1A1L3MBTL1RAB9A

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 FAAH 1888/4885ALOX5AP 305/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 FAAH 1888/4885ALOX5AP 305/4885LMNA 4798/4885

“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.