SCHEMBL795633

SCHEMBL795633

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ccc(COCC4CC4)nc3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL796285 0.86 MAPT (0.36) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL795333 0.85 PIK3CA (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL795736 0.82 CNR2 (0.35) CNR2ACHES1PR1
SCHEMBL15477140 0.79 CHRNA7 (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL796276 0.78 NPC1 (0.37) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL807929 0.77 ACHE (0.40) CNR2CCNB2CDK1CCNB1CCNA2
SCHEMBL796450 0.76 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL807919 0.75 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15476996 0.74 SMN1; SMN2 (0.40) CNR2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL795752 0.74 KMT2A (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 10 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

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 CNR2 15/4885ALDH1A1 439/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CNR2 15/4885ALDH1A1 439/4885MAPT 2602/4885

“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.