SCHEMBL796437

SCHEMBL796437

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3C(=O)O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM5 P41594 1/20 0.39
NAPRT Q6XQN6 2/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
DHFR P00374 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALOX12 P18054 1/20 0.33
ATR Q13535 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
PKM P14618 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL795931 0.91 TDP1 (0.36) KDM4ETDP1GRM5NPC1RAB9A
SCHEMBL795838 0.88 MAPT (0.37) KDM4ENPC1RAB9ADHFRALDH1A1
SCHEMBL808330 0.87 CNR2 (0.39) KDM4ERAB9AALDH1A1KMT2A
SCHEMBL795276 0.87 SMN1; SMN2 (0.35) KDM4ENPC1RAB9ADHFRALDH1A1
SCHEMBL795929 0.86 PKM (0.39) KDM4ENPC1RAB9ADHFRALDH1A1
SCHEMBL795816 0.86 ALDH1A1 (0.36) NPC1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL795258 0.86 GABRA5 (0.35) KDM4EGRM5NPC1ALDH1A1ADORA3
SCHEMBL10287138 0.86 ALDH1A1 (0.39) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL796521 0.86 KDM4E (0.33) KDM4EGRM5NPC1RAB9AALDH1A1
SCHEMBL796278 0.85 GRM5 (0.39) GRM5NPC1RAB9ADHFRALDH1A1

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 KDM4E 3067/4885TDP1 4176/4885GRM5 67/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885TDP1 4176/4885GRM5 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.