SCHEMBL795559

SCHEMBL795559

Nc1nc(Nc2cc(Cl)ccc2F)nc(-c2noc(-c3ccccn3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.47
NPC1 O15118 9/20 0.45
RAB9A P51151 9/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
TP53 P04637 6/20 0.45
MAPT P10636 4/20 0.45
PKM P14618 4/20 0.45
TSHR P16473 3/20 0.45
MITF O75030 1/20 0.45
ADORA2A P29274 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CDK9 P50750 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL797199 0.84 GRM5 (0.45) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL795602 0.83 GRM5 (0.52) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL796526 0.81 CASP3 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL795935 0.79 RAB9A (0.48) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL795710 0.72 CASP3 (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL17220400 0.71 TSHR (0.51) NPC1RAB9ASMN1; SMN2TSHRADORA2A
SCHEMBL807928 0.70 LCLAT1 (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL796497 0.69 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL16388547 0.68 L3MBTL1 (0.51) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL808326 0.67 GRM5 (0.38) GRM5NPC1RAB9ASMN1; SMN2TP53

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-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 GRM5 67/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885NPC1 3204/4885RAB9A 4766/4885

“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.