SCHEMBL1043016

SCHEMBL1043016

O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1cccnc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.85
CLK4 Q9HAZ1 13/20 0.85
MAP4K4 O95819 11/20 0.85
DYRK1A Q13627 9/20 0.85
STK17A Q9UEE5 8/20 0.85
CDK8 P49336 7/20 0.85
MELK Q14680 7/20 0.85
DYRK1B Q9Y463 4/20 0.85
MAPK14 Q16539 1/20 0.85
ROCK2 O75116 17/20 0.71
ROCK1 Q13464 6/20 0.71
LRRK2 Q5S007 2/20 0.71
PRKACA P17612 16/20 0.67
CDK2 P24941 15/20 0.67
HIPK2 Q9H2X6 15/20 0.67
CDK7 P50613 8/20 0.67
CDK9 P50750 8/20 0.67
CLK2 P49760 7/20 0.67
CDK5 Q00535 7/20 0.67
DAPK3 O43293 6/20 0.67

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
SCHEMBL1046336 0.92 CDC7 (1.00) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL935499 0.88 CDC7 (0.66) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL1045884 0.84 CDC7 (0.77) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL1045438 0.83 CDC7 (1.00) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL1046096 0.80 CDC7 (1.00) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL1042568 0.79 CDC7 (0.71) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL1046548 0.79 CDC7 (0.67) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL1043490 0.78 CDC7 (0.82) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL1045655 0.78 CDC7 (1.00) CDC7CLK4MAP4K4DYRK1ASTK17A
SCHEMBL935432 0.78 CDC7 (0.76) CDC7CLK4MAP4K4DYRK1ASTK17A

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 10 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 claimed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US claimed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US claimed
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 CDC7 1/4885CLK4 440/4885MAP4K4 45/4885

“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.