SCHEMBL796712

SCHEMBL796712

CN(c1ccccc1)c1nc(N)nc(/C(N)=N/O)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
DHFR P00374 3/20 0.42
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 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
SCHEMBL795288 1.00 TSHR (0.48) TSHRTP53ALOX15DHFRMAPT
SCHEMBL17220237 0.87 DHFR (0.39) TSHRTP53ALOX15DHFR
SCHEMBL17220330 0.86 TP53 (0.36) TSHRTP53ALOX15CYP1A2CYP3A4
SCHEMBL17220073 0.86 TP53 (0.36) TSHRTP53ALOX15DHFRNPC1
SCHEMBL795338 0.85 SIGMAR1 (0.39) TSHRTP53ALOX15DHFRMAPT
SCHEMBL17220383 0.84 TP53 (0.38) TSHRTP53ALOX15DHFRKMT2A
SCHEMBL17220076 0.84 HTR3E (0.42) TSHRTP53ALOX15
SCHEMBL17220214 0.84 EGFR (0.43) DHFRKMT2ANPC1
SCHEMBL17220376 0.82 MTNR1A (0.39) TSHRTP53ALOX15DHFRNPC1
SCHEMBL17220008 0.82 TP53 (0.38) TSHRTP53ALOX15DHFR

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 TSHR 1712/4885TP53 4729/4885ALOX15 149/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TSHR 1712/4885TP53 4729/4885ALOX15 149/4885

“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.