SCHEMBL796014

SCHEMBL796014

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM5 P41594 1/20 0.40
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2B P41595 1/20 0.39
NTRK1 P04629 5/20 0.39
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 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
SCHEMBL796061 0.98 GRM5 (0.43) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL808334 0.91 MAP4K4 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL795451 0.89 NAMPT (0.39) NPC1RAB9A
SCHEMBL808335 0.89 TP53 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL797068 0.88 CYP2D6 (0.48) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL795502 0.86 CYP2D6 (0.45) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL795741 0.84 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL795592 0.84 CTSL (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL793556 0.83 CDK2 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10286909 0.82 MAPK1 (0.34) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 NPC1 3204/4885RAB9A 4766/4885MEN1 4842/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885MEN1 4842/4885

“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.