SCHEMBL795322

SCHEMBL795322

Cc1cccc(Nc2nc(N)nc(-c3noc(-c4ccco4)n3)n2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.43
RAB9A P51151 11/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 7/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 4/20 0.40
CASP3 P42574 1/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.38
JAK2 O60674 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
SCHEMBL796382 0.89 NPC1 (0.41) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL795193 0.87 CASP3 (0.44) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL807928 0.82 LCLAT1 (0.43) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL795710 0.80 CASP3 (0.43) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL796526 0.79 CASP3 (0.50) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL795357 0.78 ADORA2A (0.47) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL795637 0.78 MAPT (0.43) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL808324 0.77 HSD17B10 (0.43) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL795831 0.75 CASP3 (0.48) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL17220066 0.71 RAB9A (0.51) NPC1RAB9AMAPTKDM4EALDH1A1

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 4766/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885MAPT 2602/4885

“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.