SCHEMBL795831

SCHEMBL795831

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
CDK1 P06493 1/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 5/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CDK9 P50750 1/20 0.44
MAPK1 P28482 3/20 0.42
BLM P54132 2/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
ROCK1 Q13464 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL795637 0.88 MAPT (0.43) CASP3MAPTPOLBALDH1A1MAPK1
SCHEMBL795357 0.86 ADORA2A (0.47) CASP3MAPTPOLBALDH1A1CDK9
SCHEMBL796526 0.84 CASP3 (0.50) CASP3MAPTPOLBALDH1A1CDK9
SCHEMBL795602 0.80 GRM5 (0.52) CDK1KDRMAPTPOLBCDK9
SCHEMBL795193 0.80 CASP3 (0.44) CASP3MAPTPOLBALDH1A1MAPK1
SCHEMBL795710 0.78 CASP3 (0.43) CASP3MAPTPOLBALDH1A1MAPK1
SCHEMBL796382 0.77 NPC1 (0.41) CASP3MAPTPOLBALDH1A1MAPK1
SCHEMBL807928 0.77 LCLAT1 (0.43) CASP3MAPTPOLBALDH1A1MAPK1
SCHEMBL795474 0.76 CASP3 (0.46) CASP3MAPTPOLBALDH1A1MAPK1
SCHEMBL795322 0.75 NPC1 (0.43) CASP3MAPTPOLBALDH1A1MAPK1

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 CASP3 2021/4885CDK1 697/4885KDR 2780/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CASP3 2021/4885CDK1 697/4885KDR 2780/4885

“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.