SCHEMBL795637

SCHEMBL795637

Nc1nc(Nc2cccc(F)c2)nc(-c2noc(-c3ccco3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
BLM P54132 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 5/20 0.42
TSHR P16473 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP3 P42574 1/20 0.41
PKM P14618 2/20 0.41
POLB P06746 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL795831 0.88 CASP3 (0.48) MAPTMAPK1BLMRAB9ANPC1
SCHEMBL795357 0.87 ADORA2A (0.47) MAPTMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL795710 0.83 CASP3 (0.43) MAPTMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL796382 0.80 NPC1 (0.41) MAPTMAPK1TDP1RAB9ANPC1
SCHEMBL795351 0.80 BRAF (0.40) MAPTMAPK1BLMRAB9ANPC1
SCHEMBL797445 0.80 TP53 (0.40) MAPTMAPK1BLMRAB9ANPC1
SCHEMBL15477215 0.79 RAB9A (0.43) MAPTMAPK1BLMRAB9ANPC1
SCHEMBL795193 0.78 CASP3 (0.44) MAPTMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL795322 0.78 NPC1 (0.43) MAPTMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL796526 0.78 CASP3 (0.50) MAPTMAPK1RAB9ANPC1SMN1; 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 MAPT 2602/4885MAPK1 3234/4885BLM 3425/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885MAPK1 3234/4885BLM 3425/4885

“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.