Sugi Predict

Sugi Predict / Compounds / SCHEMBL1043681

SCHEMBL1043681

SCHEMBL1043681

OC1CCCCC1Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 19/20 0.74
▸ GSK3B P49841 12/20 0.74
▸ PRKACA P17612 12/20 0.59
▸ HIPK2 Q9H2X6 12/20 0.59
▸ CDK2 P24941 11/20 0.59
▸ ROCK2 O75116 10/20 0.59
▸ PIM1 P11309 10/20 0.59
▸ IRAK4 Q9NWZ3 8/20 0.59
▸ MAP4K4 O95819 7/20 0.59
▸ CLK4 Q9HAZ1 9/20 0.58
▸ DYRK1A Q13627 8/20 0.57
▸ MELK Q14680 8/20 0.57
▸ DAPK3 O43293 7/20 0.57
▸ PRKX P51817 7/20 0.57
▸ PKN2 Q16513 7/20 0.57
▸ CDK8 P49336 6/20 0.57
▸ PAK4 O96013 6/20 0.57
▸ MINK1 Q8N4C8 6/20 0.57
▸ MAP4K5 Q9Y4K4 6/20 0.57
▸ MAP4K2 Q12851 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
SCHEMBL1042723 0.88 CDC7 (0.74) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL1047057 0.88 CDC7 (0.74) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL1047055 0.88 CDC7 (0.74) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL14905733 0.88 CDC7 (0.74) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL14905732 0.88 CDC7 (0.74) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL1041079 0.86 CDC7 (0.72) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL1043587 0.85 CDC7 (1.00) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL1045974 0.85 CDC7 (0.71) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL1045976 0.85 CDC7 (0.71) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL1045977 0.85 CDC7 (0.71) CDC7GSK3BPRKACAHIPK2CDK2

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-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
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.