SCHEMBL2283400

SCHEMBL2283400

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)nc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
BRD4 O60885 3/20 0.40
HTR6 P50406 5/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
GRM2 Q14416 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL2277128 0.87 MAPK1 (0.43) PDPK1BRD4HTR6WNT1GSK3B
SCHEMBL25925229 0.85 EGFR (0.39) HTR6WNT1GSK3BDYRK1ACDK2
SCHEMBL2752683 0.83 PDPK1 (0.47) PDPK1BRD4HTR6WNT1GSK3B
SCHEMBL2277123 0.82 TYRO3 (0.39) PDPK1BRD4WNT1GSK3BDYRK1A
SCHEMBL25924720 0.81 CYP1A2 (0.48) CYP2C19
SCHEMBL25924724 0.81 MET (0.38) HTR6GSK3BDYRK1A
SCHEMBL2277438 0.80 PDPK1 (0.38) PDPK1BRD4HTR6WNT1GSK3B
SCHEMBL2750994 0.79 PDPK1 (0.54) PDPK1BRD4HTR6L3MBTL1FGFR1
SCHEMBL27973935 0.79 HTR6 (0.54) PDPK1BRD4HTR6GRM2CCNA2
SCHEMBL8192188 0.78 PDPK1 (0.47) PDPK1BRD4HTR6WNT1GSK3B

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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 PDPK1 115/4885BRD4 837/4885HTR6 3357/4885

“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.