SCHEMBL795537

SCHEMBL795537

CN(c1ccccc1)c1nc(N)nc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DHFR P00374 3/20 0.48
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL14869412 0.87 DHFR (0.54) DHFRMAPTTSHRCYP1A2CYP3A4
SCHEMBL8973771 0.87 ALDH1A1 (0.59) ALDH1A1TDP1MAPTTSHRCYP1A2
SCHEMBL796429 0.87 ALDH1A1 (0.64) ALDH1A1TDP1MAPTTSHRCYP1A2
SCHEMBL3502325 0.82 ALDH1A1 (0.75) ALDH1A1TDP1DHFRMAPTTSHR
SCHEMBL14869456 0.81 DHFR (0.51) ALDH1A1DHFRMAPTTSHRCYP1A2
SCHEMBL7700052 0.79 DHFR (0.51) ALDH1A1TDP1DHFRMAPTTSHR
SCHEMBL796040 0.79 MAPT (0.53) ALDH1A1TDP1DHFRMAPTTSHR
SCHEMBL17220326 0.78 RXRA (0.42) MAPTTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL32688167 0.77 ALDH1A1 (0.47) ALDH1A1TDP1MAPTTSHRCYP1A2
SCHEMBL14869569 0.77 DHFR (0.46) DHFRMAPTTSHRCYP1A2CYP3A4

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 ALDH1A1 439/4885TDP1 4176/4885DHFR 1553/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885TDP1 4176/4885DHFR 1553/4885

“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.