SCHEMBL795657

SCHEMBL795657

Nc1nc(Nc2ccccc2)nc(-c2noc(C(=O)N3CCC(COCC(F)(F)F)CC3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
LMNA P02545 2/20 0.37
LRRK2 Q5S007 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
BTK Q06187 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL795836 0.92 SMN1; SMN2 (0.43) SMN1; SMN2USP2GAAMAPTKCNH2
SCHEMBL15476949 0.89 KCNH2 (0.42) HDAC4SMN1; SMN2USP2GAAMAPT
SCHEMBL15477367 0.85 KCNH2 (0.44) SMN1; SMN2USP2GAAMAPTKCNH2
SCHEMBL794310 0.85 SMN1; SMN2 (0.41) SMN1; SMN2USP2GAAMAPTLMNA
SCHEMBL795057 0.84 MAPT (0.42) HDAC4SMN1; SMN2USP2GAAMAPT
SCHEMBL795714 0.83 HDAC4 (0.39) HDAC4SMN1; SMN2MAPTKCNH2MCHR1
SCHEMBL796307 0.81 KDM4E (0.48) SMN1; SMN2USP2GAAMAPTKCNH2
SCHEMBL796060 0.77 HDAC4 (0.36) HDAC4MAPTKCNH2MCHR1LMNA
SCHEMBL796454 0.76 KDM4E (0.48) SMN1; SMN2USP2MAPTLMNAL3MBTL1
SCHEMBL796450 0.75 SMN1; SMN2 (0.45) SMN1; SMN2USP2GAAMAPTLMNA

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 HDAC4 781/4885SMN1; SMN2 1684/4885USP2 3711/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC4 781/4885SMN1; SMN2 1684/4885USP2 3711/4885

“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.