SCHEMBL13728339

SCHEMBL13728339

Nc1nc(OCC(F)(F)F)nc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.53
ADORA1 P30542 5/20 0.53
ADORA3 P0DMS8 3/20 0.53
ADORA2B P29275 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ALOX15 P16050 1/20 0.42
DPP4 P27487 2/20 0.41
ALDH1A1 P00352 1/20 0.39
TPH1 P17752 1/20 0.39

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
SCHEMBL10642328 0.89 LMNA (0.54) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL10636845 0.82 LMNA (0.45) POLBKDM4EHSD17B10LMNATSHR
SCHEMBL15868697 0.78 MEN1 (0.49) ADORA2AKDM4EHSD17B10LMNATSHR
SCHEMBL13728337 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL9189799 0.74 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1391347 0.72 MAPT (0.57) ADORA2AKDM4EHSD17B10LMNAMEN1
SCHEMBL8524606 0.72 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2BPOLB
Benzoguanamine SCHEMBL27898 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPOLB
Benzoguanamine SCHEMBL28634836 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPOLB
Benzoguanamine SCHEMBL917182 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
EP-2699554-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 US disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 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 (1 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 ADORA2A 1110/4885ADORA1 1190/4885ADORA3 1866/4885

“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.