SCHEMBL795287

SCHEMBL795287

CN(c1ccccc1)c1nc(N)nc(C(=N)NO)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.41
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 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
SCHEMBL17220235 0.88 DHFR (0.38) DHFRTSHRKMT2A
SCHEMBL17220072 0.86 DHFR (0.31) DHFRNPC1
SCHEMBL17220328 0.86 KCNH2 (0.37) CYP1A2CYP3A4CYP2C19HDAC6NPC1
SCHEMBL795337 0.86 SMN1; SMN2 (0.38) MAPTTSHRLMNASMN1; SMN2RAB9A
SCHEMBL17220382 0.85 MEN1 (0.38) DHFRKMT2ANPC1
SCHEMBL17220075 0.85 HTR3E (0.44) HDAC6
SCHEMBL17220212 0.84 MERTK (0.42) DHFRKMT2ANPC1RAB9A
SCHEMBL17220373 0.83 MTNR1A (0.40) DHFRKMT2ANPC1
SCHEMBL17220006 0.83 SIGMAR1 (0.31) DHFRHDAC6
SCHEMBL17220115 0.83 DHFR (0.44) DHFRMAPTTSHRCYP1A2CYP2C9

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 7 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
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 DHFR 1553/4885MAPT 2602/4885MAPK1 3234/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 DHFR 1553/4885MAPT 2602/4885MAPK1 3234/4885

“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.