Sugi Predict

Sugi Predict / Compounds / SCHEMBL935166

SCHEMBL935166

SCHEMBL935166

O[C@H]1CC[C@H](Nc2cc(-c3c[nH]c4nccnc34)cc(Cl)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 18/20 0.58
▸ GSK3B P49841 9/20 0.58
▸ PRKACA P17612 8/20 0.57
▸ HIPK2 Q9H2X6 8/20 0.57
▸ CDK8 P49336 7/20 0.57
▸ MELK Q14680 7/20 0.57
▸ PIM1 P11309 7/20 0.57
▸ CDK2 P24941 7/20 0.57
▸ DAPK3 O43293 6/20 0.57
▸ PAK4 O96013 6/20 0.57
▸ PRKX P51817 6/20 0.57
▸ MAP4K2 Q12851 6/20 0.57
▸ STK3 Q13188 6/20 0.57
▸ MINK1 Q8N4C8 6/20 0.57
▸ MAP4K5 Q9Y4K4 6/20 0.57
▸ JAK3 P52333 6/20 0.57
▸ STK17A Q9UEE5 6/20 0.57
▸ DYRK1A Q13627 6/20 0.57
▸ CLK4 Q9HAZ1 6/20 0.57
▸ PRKD3 O94806 5/20 0.57

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
SCHEMBL935168 1.00 CDC7 (0.58) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL934236 0.90 CDC7 (0.71) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL935448 0.88 CDC7 (0.52) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL14713224 0.87 CDC7 (0.54) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL934902 0.87 CDC7 (0.52) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL934901 0.87 CDC7 (0.52) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL934819 0.85 CDC7 (0.49) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL934344 0.84 CDC7 (0.49) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL934342 0.84 CDC7 (0.49) CDC7GSK3BPRKACAHIPK2CDK8
SCHEMBL15190316 0.84 CDC7 (0.82) CDC7GSK3BPRKACAHIPK2CDK8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 — — EP claimed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 — — EP claimed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — US claimed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — WO claimed
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 — — EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 — — US disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 — — EP disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — WO 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 CDC7 1/4885GSK3B 307/4885PRKACA 125/4885

“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.