SCHEMBL796822

SCHEMBL796822

CC(O)c1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)nc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.33
DHFR P00374 5/20 0.32
TPH1 P17752 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ATR Q13535 3/20 0.30
ATM Q13315 2/20 0.30
AHR P35869 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PRKDC P78527 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL796459 0.93 HDAC4 (0.33) HCAR2TPH1S1PR1S1PR3ATR
SCHEMBL15480817 0.86 DHFR (0.36) DHFRMAPTATRAHRRAB9A
SCHEMBL797169 0.85 NPC1 (0.33) RAB9A
SCHEMBL796527 0.84 GRM5 (0.38) HCAR2DHFRMAPTHSD17B10
SCHEMBL795346 0.83 ATR (0.36) HCAR2DHFRATRHDAC4
SCHEMBL795257 0.83 HDAC4 (0.35) DHFRS1PR1S1PR3HDAC4
SCHEMBL796056 0.83 NPC1 (0.41) DHFRMAPTS1PR1RAB9ASMN1; SMN2
SCHEMBL795603 0.82
SCHEMBL797277 0.81 CASP3 (0.45) DHFRS1PR1S1PR3HDAC4
SCHEMBL795360 0.81 PKM (0.48) MAPTRAB9ASMN1; SMN2HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 HCAR2 643/4885DHFR 1553/4885TPH1 154/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HCAR2 643/4885DHFR 1553/4885TPH1 154/4885

“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.