SCHEMBL794788

SCHEMBL794788

CN(c1ccc(F)cc1)c1nc(N)nc(-c2noc(-c3ncccc3F)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 2/20 0.33
PIK3CA P42336 2/20 0.31
PIK3R1 P27986 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.30
KCNH3 Q9ULD8 1/20 0.30
GAA P10253 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
SCHEMBL796206 0.93 SMN1; SMN2 (0.34) SMN1; SMN2TSHRNPSR1GRM5NPC1
SCHEMBL796330 0.89 GRM5 (0.39) SMN1; SMN2TSHRNPSR1GRM5PIK3CA
SCHEMBL796280 0.86 SMN1; SMN2 (0.34) SMN1; SMN2TSHRNPSR1GRM5NPC1
SCHEMBL796073 0.85 GRM4 (0.38) SMN1; SMN2TSHRNPSR1GRM5PIK3CA
SCHEMBL795276 0.82 SMN1; SMN2 (0.35) SMN1; SMN2TSHRNPSR1NPC1RAB9A
SCHEMBL795929 0.81 PKM (0.39) SMN1; SMN2TSHRNPSR1NPC1RAB9A
SCHEMBL796384 0.80 NPC1 (0.42) SMN1; SMN2GRM5NPC1RAB9ATP53
SCHEMBL795737 0.80 DHFR (0.35) SMN1; SMN2GRM5PIK3CANPC1RAB9A
SCHEMBL796278 0.80 GRM5 (0.39) SMN1; SMN2TSHRNPSR1GRM5NPC1
SCHEMBL795819 0.80 SMN1; SMN2 (0.36) SMN1; SMN2TSHRNPSR1GRM5NPC1

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 14 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-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-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
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 SMN1; SMN2 1684/4885TSHR 1712/4885NPSR1 101/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885TSHR 1712/4885NPSR1 101/4885

“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.