SCHEMBL265875

SCHEMBL265875

CN1CCN(c2ccc(-c3cnc(N)nc3Nc3cccc([N+](=O)[O-])c3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.63
ALK Q9UM73 1/20 0.54
MAPKAPK2 P49137 1/20 0.51
EIF2AK2 P19525 1/20 0.49
MET P08581 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ROCK1 Q13464 1/20 0.46
AURKA O14965 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
RAD52 P43351 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
HRH4 Q9H3N8 3/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 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
SCHEMBL13859302 0.90 SRC (0.53) BRD4ALKROCK1ALDH1A1MAPT
SCHEMBL263688 0.83 JAK2 (0.48) BRD4ALKMAPKAPK2
SCHEMBL263109 0.83 JAK2 (0.51) BRD4ALKAURKA
SCHEMBL265214 0.80 BRD4 (0.49) BRD4ALKALDH1A1MAPT
SCHEMBL264498 0.79 BRD4 (0.48) BRD4ALKALDH1A1MAPT
SCHEMBL264535 0.78 KCNA5 (0.50) BRD4ALKALDH1A1MAPT
Hydrochloric Acid SCHEMBL263808 0.78 BRD4 (0.49) BRD4ALK
SCHEMBL263544 0.78 DHFR (0.44) BRD4
SCHEMBL6313126 0.77 HTR3A (0.52) ALKMAPKAPK2METMAPTEGFR
SCHEMBL270815 0.77 BRD4 (1.00) BRD4ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885ALK 154/4885MAPKAPK2 112/4885

“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.