SCHEMBL795592

SCHEMBL795592

Nc1nc(Nc2cccc(F)c2)nc(-c2noc(NC3CCCC3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CTSB P07858 2/20 0.42
NPY5R Q15761 1/20 0.42
PAK4 O96013 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSV O60911 2/20 0.38
PLAT P00750 2/20 0.38
CTSH P09668 2/20 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
SCHEMBL807945 0.87 KMT2A (0.46) NPY5RKDM4EMEN1NPC1ALOX15
SCHEMBL795945 0.86 KMT2A (0.47) NPY5RKDM4EMEN1NPC1ALOX15
SCHEMBL795651 0.84 MAPK1 (0.40) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL796014 0.84 NPC1 (0.44) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL796061 0.82 GRM5 (0.43) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10287200 0.77 MAPK1 (0.43) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL796373 0.77 MAPT (0.42) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL808334 0.76 MAP4K4 (0.42) CTSLCTSSCTSKCTSBPAK4
SCHEMBL15477215 0.75 RAB9A (0.43) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL795451 0.75 NAMPT (0.39) NPC1RAB9AMAPK1

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 11 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
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 CTSL 4722/4885CTSS 4136/4885CTSK 3321/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CTSL 4722/4885CTSS 4136/4885CTSK 3321/4885

“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.