SCHEMBL1284047

SCHEMBL1284047

Brc1ccc2nnc(-c3cccc(OCCN4CCOCC4)c3)n2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ACHE P22303 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
MET P08581 1/20 0.45
KDR P35968 1/20 0.45
LTA4H P09960 1/20 0.44
PIM1 P11309 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
BACE1 P56817 1/20 0.43
LSS P48449 1/20 0.43

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
SCHEMBL10070557 0.88 KDM4E (0.50) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL1283925 0.88 KDM4E (0.47) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL15028634 0.88 MET (0.53) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL1284252 0.82 KDM4E (0.43) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL15013794 0.82 KDM4E (0.47) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL1695426 0.82 ACHE (0.44) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL1283918 0.81 ACHE (0.43) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL1284209 0.80 KDR (0.43) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL4200616 0.79 KDR (0.40) KDM4ETSHRTP53ADORA2AADORA1
SCHEMBL1284483 0.79 KDR (0.42) KDM4ETSHRTP53ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557797-B2 Triazolopyridine derivatives and their therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-15 US disclosed
US-8557797-B2 Triazolopyridine derivatives and their therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-15 US disclosed
US-8557797-B2 Triazolopyridine derivatives and their therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-15 US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 US disclosed
EP-2398798-A1 TRIAZOLOPYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2011-12-28 EP disclosed
WO-2010094956-A1 TRIAZOLOPYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED. (GB) 2010-08-26 WO disclosed
WO-2010094956-A1 TRIAZOLOPYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED. (GB) 2010-08-26 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-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 KDM4E 3026/4885TSHR 565/4885TP53 1999/4885

“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.