SCHEMBL1049062

SCHEMBL1049062

COc1cnc2[nH]cc(-c3cc(Cl)nc(N[C@H]4CC[C@H](NC(=O)CNC5CCCCC5)CC4)c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 16/20 0.53
GSK3B P49841 7/20 0.53
PRKACA P17612 8/20 0.43
DYRK1A Q13627 8/20 0.43
CDK8 P49336 7/20 0.43
CLK4 Q9HAZ1 7/20 0.43
DAPK3 O43293 7/20 0.43
PRKX P51817 7/20 0.43
PKN2 Q16513 7/20 0.43
MINK1 Q8N4C8 7/20 0.43
HIPK2 Q9H2X6 7/20 0.43
MAP4K5 Q9Y4K4 7/20 0.43
ROCK2 O75116 7/20 0.43
CLK2 P49760 7/20 0.43
CDK5 Q00535 7/20 0.43
PAK4 O96013 6/20 0.43
MAP4K2 Q12851 6/20 0.43
STK3 Q13188 6/20 0.43
CDK2 P24941 6/20 0.43
CDK9 P50750 6/20 0.43

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
SCHEMBL1047223 0.94 CDC7 (0.45) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1050185 0.90 CDC7 (0.53) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1044600 0.90 CDC7 (0.47) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1048481 0.89 CDC7 (0.49) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1048482 0.89 CDC7 (0.49) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1045567 0.88 CDC7 (0.48) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1045565 0.88 CDC7 (0.48) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL15189909 0.88 CDC7 (0.48) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1046429 0.88 CDC7 (0.67) CDC7GSK3BPRKACADYRK1ACDK8
SCHEMBL1042660 0.88 CDC7 (0.45) CDC7GSK3BPRKACADYRK1ACDK8

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 442/4885PRKACA 78/4885

“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.