SCHEMBL2531171

SCHEMBL2531171

COc1ccc(C(F)(F)F)cc1-c1cc(-c2c[nH]c3ncccc23)cc(OC(C)(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
DYRK1A Q13627 8/20 0.50
RET P07949 1/20 0.42
CDC7 O00311 10/20 0.41
CDK2 P24941 10/20 0.41
ROCK2 O75116 9/20 0.41
PIM1 P11309 9/20 0.41
PRKACA P17612 9/20 0.41
HIPK2 Q9H2X6 9/20 0.41
GSK3B P49841 8/20 0.41
CLK4 Q9HAZ1 6/20 0.41
IRAK4 Q9NWZ3 5/20 0.41
MAP4K4 O95819 7/20 0.41
CDK9 P50750 6/20 0.41
FLT3 P36888 5/20 0.41
CDK7 P50613 5/20 0.41
DAPK3 O43293 4/20 0.41
PRKD3 O94806 4/20 0.41
PAK4 O96013 4/20 0.41
CSNK1A1 P48729 4/20 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
SCHEMBL2528276 0.86 DYRK1A (0.49) BRD4DYRK1ACDC7CDK2ROCK2
SCHEMBL2533349 0.84 BRD4 (0.53) BRD4DYRK1ARETCDC7CDK2
SCHEMBL2534550 0.80 BRD4 (0.50) BRD4DYRK1ARETCDC7CDK2
SCHEMBL2534175 0.79 DYRK1A (0.51) BRD4DYRK1ARETCDC7CDK2
SCHEMBL2525011 0.78 BRD4 (0.47) BRD4DYRK1ARETCDC7CDK2
SCHEMBL28805250 0.78 DYRK1A (0.49) BRD4DYRK1ARETCDC7CDK2
SCHEMBL2534555 0.78 DYRK1A (0.53) BRD4DYRK1ACDC7CDK2ROCK2
SCHEMBL2528668 0.78 DYRK1A (0.49) BRD4DYRK1ARETCDC7CDK2
SCHEMBL2528281 0.77 DYRK1A (0.46) BRD4DYRK1ARETCDC7CDK2
SCHEMBL2530856 0.77 BRD4 (0.53) BRD4DYRK1ACDC7CDK2ROCK2

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 6 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
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-20 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 (2 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 BRD4 1274/4885DYRK1A 355/4885RET 357/4885
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 BRD4 1274/4885DYRK1A 355/4885RET 357/4885

“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.