SCHEMBL1050720

SCHEMBL1050720

COc1cnc2[nH]cc(-c3cc(Cl)nc(NC4CCC(NN(CC=O)C(=O)OC(C)(C)C)CC4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.42
GSK3B P49841 10/20 0.42
PRKACA P17612 12/20 0.37
ROCK2 O75116 11/20 0.37
HIPK2 Q9H2X6 11/20 0.37
CLK4 Q9HAZ1 10/20 0.37
CDK2 P24941 10/20 0.37
PIM1 P11309 9/20 0.37
DYRK1A Q13627 8/20 0.37
CDK9 P50750 8/20 0.37
CDK8 P49336 7/20 0.37
CLK2 P49760 7/20 0.37
CDK5 Q00535 7/20 0.37
DAPK3 O43293 7/20 0.37
PRKX P51817 7/20 0.37
MELK Q14680 7/20 0.37
MINK1 Q8N4C8 7/20 0.37
MAP4K5 Q9Y4K4 7/20 0.37
STK17A Q9UEE5 6/20 0.37
IRAK4 Q9NWZ3 6/20 0.37

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
SCHEMBL1050717 0.82 CDC7 (0.44) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL1050691 0.81 PDPK1 (0.36) CDC7GSK3BCDK2FLT3PDPK1
SCHEMBL1049432 0.81 JAK1 (0.48) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL1083528 0.81 CDC7 (0.55) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL1083526 0.81 CDC7 (0.55) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL15190221 0.80 CDC7 (0.51) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL15190220 0.80 CDC7 (0.51) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL1047062 0.80 CDC7 (0.46) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL1046745 0.80 CDC7 (0.44) CDC7GSK3BPRKACAROCK2HIPK2
SCHEMBL1048482 0.80 CDC7 (0.49) CDC7GSK3BPRKACAROCK2HIPK2

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 3 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 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.