SCHEMBL13788890

SCHEMBL13788890

CNC(=O)c1cccc(Nc2nc(Cl)ncc2[N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.63
GSK3B P49841 3/20 0.47
AURKA O14965 2/20 0.47
GSK3A P49840 2/20 0.47
JAK2 O60674 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
PTK2B Q14289 1/20 0.44
INSR P06213 1/20 0.43
ALK Q9UM73 1/20 0.43
MAPK1 P28482 2/20 0.42

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
SCHEMBL2061066 0.84 ALK (0.55) CSNK2A2CSNK2BCSNK2A1INSRALK
SCHEMBL267189 0.83 EGFR (0.50) CSNK2A2CSNK2BCSNK2A1INSRALK
SCHEMBL23754828 0.82 ALK (0.48) GSK3BCSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL2302190 0.82 SCN9A (0.58) AURKACSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL30086205 0.82 ALK (0.48) GSK3BCSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL656001 0.82 PIN1 (0.72) PIN1GSK3BAURKAGSK3AMAPT
SCHEMBL19958511 0.82 PIN1 (0.72) PIN1GSK3BAURKAGSK3AMAPT
SCHEMBL19877901 0.81 PIN1 (0.71) PIN1GSK3BAURKAGSK3AJAK2
SCHEMBL13794335 0.80 CSNK2A1 (0.48) CSNK2A2CSNK2BCSNK2A1INSRALK
SCHEMBL13303630 0.79 PIN1 (0.72) PIN1GSK3BAURKAGSK3AMAPT

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-7563781-B2 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-07-21 US disclosed
US-20070015207-A1 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2007-01-18 US disclosed
US-20070015207-A1 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2007-01-18 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-20070015207-A1 Triazolopyrimidine derivatives ABL1, FLT3, ROS1 PIN1 1213/4885GSK3B 389/4885AURKA 456/4885

“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.