SCHEMBL796526

SCHEMBL796526

Nc1nc(Nc2cc(Cl)ccc2F)nc(-c2noc(-c3ccco3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.50
LCLAT1 Q6UWP7 1/20 0.43
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TSHR P16473 4/20 0.40
HSD17B10 Q99714 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ADORA2A P29274 2/20 0.39
ESR1 P03372 1/20 0.39
CDK9 P50750 1/20 0.39
TP53 P04637 3/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL795710 0.90 CASP3 (0.43) CASP3NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL807928 0.88 LCLAT1 (0.43) CASP3LCLAT1NPC1RAB9ASMN1; SMN2
SCHEMBL795831 0.84 CASP3 (0.48) CASP3LCLAT1NPC1RAB9ASMN1; SMN2
SCHEMBL795193 0.83 CASP3 (0.44) CASP3NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL796382 0.83 NPC1 (0.41) CASP3LCLAT1NPC1RAB9ASMN1; SMN2
SCHEMBL795559 0.81 GRM5 (0.47) NPC1RAB9ASMN1; SMN2TSHRHSD17B10
SCHEMBL795322 0.79 NPC1 (0.43) CASP3NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL795357 0.78 ADORA2A (0.47) CASP3NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL795637 0.78 MAPT (0.43) CASP3NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10287189 0.76 CASP3 (0.47) CASP3NPC1RAB9ASMN1; SMN2TSHR

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 2021/4885LCLAT1 3387/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CASP3 2021/4885LCLAT1 3387/4885NPC1 3204/4885

“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.