SCHEMBL2277438

SCHEMBL2277438

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCCCC4)nc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
ATR Q13535 1/20 0.36
FFAR2 O15552 5/20 0.36
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR6 P50406 4/20 0.35
KDR P35968 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPK1 P28482 2/20 0.34
FLT3 P36888 1/20 0.33
BRD4 O60885 1/20 0.33

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 0.86 MAPK1 (0.43) PDPK1HTR6KDRWNT1GSK3B
SCHEMBL2750989 0.82 PDPK1 (0.46) PDPK1FFAR2HTR6KDRBRD4
SCHEMBL2752575 0.81 PDPK1 (0.46) PDPK1FFAR2HTR6KDRBRD4
SCHEMBL2281187 0.80 IRAK4 (0.37) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2752309 0.80 PDPK1 (0.46) PDPK1FFAR2HTR6KDRBRD4
SCHEMBL2283400 0.80 PDPK1 (0.42) PDPK1HTR6WNT1GSK3BDYRK1A
SCHEMBL2277123 0.79 TYRO3 (0.39) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL12406850 0.79 KDR (0.37) ATRTDP1KDRMAPK1
SCHEMBL2752312 0.79 PDPK1 (0.41) PDPK1FFAR2PTGS2HTR6KDR
SCHEMBL2277448 0.78 PDPK1 (0.37) PDPK1HTR6WNT1GSK3BDYRK1A

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 115/4885ATR 360/4885FFAR2 1817/4885

“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.