SCHEMBL1045103

SCHEMBL1045103

CC(C)(C)OC(=O)NCC(=O)NC1CCC(Nc2cc(B3OC(C)(C)C(C)(C)O3)cc(Cl)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
USP30 Q70CQ3 1/20 0.38
CDK9 P50750 3/20 0.35
CDC7 O00311 2/20 0.35
DAPK3 O43293 2/20 0.35
ROCK2 O75116 2/20 0.35
MAP4K4 O95819 2/20 0.35
PAK4 O96013 2/20 0.35
PIM1 P11309 2/20 0.35
PRKACA P17612 2/20 0.35
CDK2 P24941 2/20 0.35
FLT3 P36888 2/20 0.35
CSNK1A1 P48729 2/20 0.35
CDK8 P49336 2/20 0.35
CLK2 P49760 2/20 0.35
GSK3B P49841 2/20 0.35
CDK7 P50613 2/20 0.35
PRKX P51817 2/20 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
SCHEMBL1045105 1.00 PRMT5 (0.40) PRMT5WDR77AAK1USP30CDK9
SCHEMBL992960 0.81 ADORA3 (0.39) CDK9CDC7DAPK3ROCK2MAP4K4
SCHEMBL992958 0.81 ADORA3 (0.39) CDK9CDC7DAPK3ROCK2MAP4K4
SCHEMBL6127366 0.81 PRCP (0.35) USP30CDK9CDC7DAPK3ROCK2
SCHEMBL6127376 0.81 PRCP (0.35) USP30CDK9CDC7DAPK3ROCK2
SCHEMBL1045104 0.79 USP30 (0.35) PRMT5WDR77AAK1USP30DGAT1
SCHEMBL952528 0.77 CDC7 (0.42) CDK9CDC7DAPK3ROCK2PAK4
SCHEMBL1044831 0.75 USP30 (0.32) USP30DGAT1
SCHEMBL951702 0.74 MEN1 (0.43) CDC7DAPK3PAK4PRKACACDK8
SCHEMBL1044830 0.73 USP30 (0.32) USP30DGAT1

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 PRMT5 399/4885WDR77 843/4885AAK1 949/4885

“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.