SCHEMBL1050860

SCHEMBL1050860

O=C(N[C@H]1CCCC[C@@H]1Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)C1CCN1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 19/20 0.65
GSK3B P49841 11/20 0.65
CLK4 Q9HAZ1 11/20 0.54
DYRK1A Q13627 10/20 0.54
CDK8 P49336 8/20 0.54
MAP4K4 O95819 8/20 0.54
STK17A Q9UEE5 8/20 0.54
MELK Q14680 8/20 0.54
DYRK1B Q9Y463 5/20 0.54
MAPK14 Q16539 1/20 0.54
ROCK2 O75116 13/20 0.54
PRKACA P17612 13/20 0.54
HIPK2 Q9H2X6 12/20 0.54
CDK2 P24941 11/20 0.54
CLK2 P49760 7/20 0.54
CDK5 Q00535 7/20 0.54
DAPK3 O43293 7/20 0.54
PRKX P51817 7/20 0.54
PKN2 Q16513 7/20 0.54
CDK7 P50613 7/20 0.54

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
SCHEMBL1043513 1.00 CDC7 (0.65) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1043512 1.00 CDC7 (0.65) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1045859 0.89 CDC7 (0.69) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1045861 0.89 CDC7 (0.69) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1044523 0.87 CDC7 (0.67) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1046515 0.85 CDC7 (0.67) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1043681 0.84 CDC7 (0.74) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL14905732 0.82 CDC7 (0.74) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1047057 0.82 CDC7 (0.74) CDC7GSK3BCLK4DYRK1ACDK8
SCHEMBL1042723 0.82 CDC7 (0.74) CDC7GSK3BCLK4DYRK1ACDK8

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
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
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
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 1/4885GSK3B 442/4885CLK4 440/4885

“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.