SCHEMBL795231

SCHEMBL795231

CCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3nccs3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHFR P00374 3/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CASP3 P42574 1/20 0.33
VSIR Q9H7M9 1/20 0.32

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
SCHEMBL795124 0.86 SMN1; SMN2 (0.35) MAPTNPSR1DHFRTSHRHSD17B10
SCHEMBL795347 0.83 NPC1 (0.46) MAPTCRHBPCRHR2NPSR1DHFR
SCHEMBL795928 0.78 GRM5 (0.44) MAPTCRHBPCRHR2NPSR1DHFR
SCHEMBL795354 0.78 NPC1 (0.44) MAPTCRHBPCRHR2NPSR1DHFR
SCHEMBL795424 0.78 NPSR1 (0.51) MAPTCRHBPCRHR2NPSR1ALDH1A1
SCHEMBL795501 0.77 MAPT (0.41) MAPTCRHBPCRHR2NPSR1DHFR
SCHEMBL797129 0.76 NR1H4 (0.53) MAPTNPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL795303 0.76 SMN1; SMN2 (0.48) MAPTNPSR1ALDH1A1KDM4ETSHR
SCHEMBL795661 0.74 NPC1 (0.43) MAPTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL795942 0.74 NPC1 (0.57) MAPTALDH1A1TSHRHSD17B10TDP1

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 14 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
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 MAPT 2602/4885CRHBP 1166/4885CRHR2 284/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885CRHBP 1166/4885CRHR2 284/4885

“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.