SCHEMBL796103

SCHEMBL796103

CN(c1ccccc1)c1nc(N)nc(-c2noc(C(=O)N3CC(c4ccc(F)cc4)C3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.39
SCD O00767 4/20 0.39
GRM5 P41594 5/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
CHRM4 P08173 1/20 0.36
PROKR1 Q8TCW9 1/20 0.35
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLPP Q16740 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL796150 0.87 MCHR1 (0.40) SCD5SCDMEN1KMT2A
SCHEMBL796205 0.84 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2A
SCHEMBL795899 0.84 SMN1; SMN2 (0.39) NPC1RAB9AMEN1KMT2A
SCHEMBL797024 0.81 MAPT (0.44) GRM5NPC1RAB9A
SCHEMBL796478 0.79 CPT1A (0.34) SCD5SCDNPC1RAB9ACYP1A2
SCHEMBL15480830 0.79 CPT1A (0.34) SCD5SCDNPC1RAB9ACYP1A2
SCHEMBL795523 0.79 KCNH2 (0.36) SCD5
SCHEMBL15480829 0.79 KCNH2 (0.36) SCD5
SCHEMBL808327 0.78 ALDH1A1 (0.32)
SCHEMBL15477411 0.78 ALDH1A1 (0.32)

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 SCD5 1829/4885SCD 3229/4885GRM5 67/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCD5 1829/4885SCD 3229/4885GRM5 67/4885

“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.