Sugi Predict

Sugi Predict / Compounds / SCHEMBL1045567

SCHEMBL1045567

SCHEMBL1045567

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 18/20 0.48
▸ GSK3B P49841 10/20 0.48
▸ PRKACA P17612 12/20 0.43
▸ DYRK1A Q13627 12/20 0.43
▸ ROCK2 O75116 11/20 0.43
▸ CLK2 P49760 11/20 0.43
▸ CDK5 Q00535 11/20 0.43
▸ DAPK3 O43293 11/20 0.43
▸ PRKX P51817 11/20 0.43
▸ MINK1 Q8N4C8 11/20 0.43
▸ HIPK2 Q9H2X6 11/20 0.43
▸ MAP4K5 Q9Y4K4 11/20 0.43
▸ CDK8 P49336 10/20 0.43
▸ CLK4 Q9HAZ1 10/20 0.43
▸ CDK2 P24941 10/20 0.43
▸ CDK9 P50750 10/20 0.43
▸ STK17A Q9UEE5 10/20 0.43
▸ PKN2 Q16513 10/20 0.43
▸ PAK4 O96013 10/20 0.43
▸ MAP4K2 Q12851 10/20 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
SCHEMBL1048482 0.92 CDC7 (0.49) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL1048481 0.92 CDC7 (0.49) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL1050185 0.91 CDC7 (0.53) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL15190220 0.90 CDC7 (0.51) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL15190221 0.90 CDC7 (0.51) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL1046745 0.89 CDC7 (0.44) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL1044600 0.89 CDC7 (0.47) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL1047223 0.89 CDC7 (0.45) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL1046159 0.88 CDC7 (0.49) CDC7GSK3BPRKACADYRK1AROCK2
SCHEMBL1046156 0.88 CDC7 (0.49) CDC7GSK3BPRKACADYRK1AROCK2

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 1/4885GSK3B 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.