SCHEMBL1993315

SCHEMBL1993315

CCOC(=O)c1ccnc(-c2cc(Br)c3c(c2)CCN3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 9/20 0.50
JAK2 O60674 3/20 0.43
PLK4 O00444 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK1 P28482 1/20 0.43
KDR P35968 1/20 0.43
MAPK8 P45983 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
AURKB Q96GD4 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
SCHEMBL1983693 0.81 JAK2 (0.57) JMJD6JAK2PLK4DAPK3DYRK3
SCHEMBL1984498 0.75 JMJD6 (0.51) JMJD6PIK3CANPC1RAB9ASIRT2
SCHEMBL28332640 0.75 JMJD6 (0.61) JMJD6PIK3CALMNATP53MAPT
SCHEMBL811785 0.74 JMJD6 (0.76) JMJD6PIK3CA
SCHEMBL30171421 0.74 JMJD6 (0.76) JMJD6PIK3CA
SCHEMBL28332645 0.73 JMJD6 (0.59) JMJD6PIK3CALMNATP53MAPT
SCHEMBL16142064 0.73 JMJD6 (0.53) JMJD6PIK3CALMNATP53MAPT
SCHEMBL4763737 0.72 JMJD6 (0.61) JMJD6PIK3CALMNATP53MAPT
SCHEMBL4763680 0.72 JMJD6 (0.67) JMJD6LMNATP53MAPTTHRB
SCHEMBL28334801 0.72 JMJD6 (0.57) JMJD6PIK3CALMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2338887-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2011-06-29 EP 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 JMJD6 836/4885JAK2 3187/4885PLK4 3770/4885

“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.