SCHEMBL2558076

SCHEMBL2558076

CC(C)(C)Oc1cc(-c2c[nH]c3ncccc23)cc(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
ROCK1 Q13464 3/20 0.44
CYP3A4 P08684 1/20 0.44
BRD4 O60885 1/20 0.43
DYRK1A Q13627 6/20 0.43
LTB4R Q15722 1/20 0.43
CDC7 O00311 6/20 0.41
ROCK2 O75116 5/20 0.41
PIM1 P11309 5/20 0.41
PRKACA P17612 5/20 0.41
CDK2 P24941 5/20 0.41
HIPK2 Q9H2X6 5/20 0.41
GSK3B P49841 4/20 0.41
CLK4 Q9HAZ1 3/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
POLB P06746 2/20 0.41
CDK7 P50613 4/20 0.41
CDK9 P50750 4/20 0.41
DAPK3 O43293 3/20 0.41
PRKD3 O94806 3/20 0.41

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
SCHEMBL2534550 0.84 BRD4 (0.50) ROCK1BRD4DYRK1ACDC7ROCK2
SCHEMBL2582510 0.83 ROCK1 (0.53) KITROCK1CYP3A4BRD4DYRK1A
SCHEMBL28805250 0.82 DYRK1A (0.49) ROCK1BRD4DYRK1ACDC7ROCK2
SCHEMBL858212 0.81 CDC7 (0.56) KITROCK1CYP3A4BRD4DYRK1A
SCHEMBL2529657 0.80 BRD4 (0.48) ROCK1BRD4DYRK1ACDC7ROCK2
SCHEMBL2534175 0.79 DYRK1A (0.51) ROCK1BRD4DYRK1ACDC7ROCK2
SCHEMBL2528276 0.79 DYRK1A (0.49) ROCK1BRD4DYRK1ACDC7ROCK2
SCHEMBL2534555 0.78 DYRK1A (0.53) ROCK1BRD4DYRK1ACDC7ROCK2
SCHEMBL2528668 0.78 DYRK1A (0.49) ROCK1BRD4DYRK1ACDC7ROCK2
SCHEMBL2534178 0.78 CDC7 (0.63) ROCK1BRD4DYRK1ACDC7ROCK2

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
US-9181246-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2015-11-10 US disclosed
US-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-12-04 US disclosed
US-8822446-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2014-09-02 US disclosed
EP-2560971-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133388-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-27 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-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 KIT 1125/4885ROCK1 291/4885CYP3A4 3556/4885

“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.