SCHEMBL797110

SCHEMBL797110

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3cc[nH]n3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 7/20 0.44
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
USP2 O75604 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CDK9 P50750 1/20 0.42
HTT P42858 3/20 0.41
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
BCL6 P41182 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL795935 0.81 RAB9A (0.48) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL795357 0.76 ADORA2A (0.47) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL794874 0.75 AGPAT2 (0.52) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL795266 0.74 CDK9 (0.47) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL795661 0.73 NPC1 (0.43) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL795198 0.73 CDK9 (0.48) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL796837 0.72 CDK9 (0.46) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL796497 0.72 NPC1 (0.42) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL15477231 0.71 S1PR1 (0.50) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL795599 0.71 KMT2A (0.39) KMT2AMAPTMEN1KDM4ESMN1; 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 KMT2A 3938/4885MAPT 2602/4885MEN1 4842/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MAPT 2602/4885MEN1 4842/4885

“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.