SCHEMBL992960

SCHEMBL992960

CC(C)(C)OC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2cc(I)cc(Cl)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.39
SUV39H2 Q9H5I1 4/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
STK17A Q9UEE5 2/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37

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
SCHEMBL992958 1.00 ADORA3 (0.39) ADORA3SUV39H2ACACBACACASTK17A
SCHEMBL1045105 0.81 PRMT5 (0.40) ADORA3SUV39H2ACACBACACASTK17A
SCHEMBL1045103 0.81 PRMT5 (0.40) ADORA3SUV39H2ACACBACACASTK17A
SCHEMBL993359 0.78 BTK (0.48) SUV39H2STK17ACDC7DAPK3ROCK2
SCHEMBL1050717 0.77 CDC7 (0.44) ADORA3STK17ACDC7DAPK3ROCK2
SCHEMBL2002673 0.77 EPHX1 (0.55) EPHX1TDP1BTK
SCHEMBL992669 0.77 ALDH1A1 (0.53) DYRK1AEPHX1RAB9A
SCHEMBL935321 0.77 PDGFRB (0.40) CDK9JAK3TDP1PRCPBTK
SCHEMBL935319 0.77 PDGFRB (0.40) CDK9JAK3TDP1PRCPBTK
SCHEMBL992713 0.76 PRCP (0.38) SUV39H2STK17ACDC7DAPK3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 ADORA3 3235/4885SUV39H2 3939/4885ACACB 2023/4885

“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.