SCHEMBL1049777

SCHEMBL1049777

O=C(C1CC1)N1CCCC(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 18/20 0.57
▸ ROCK2 O75116 17/20 0.57
▸ PRKACA P17612 16/20 0.57
▸ CDK2 P24941 15/20 0.57
▸ HIPK2 Q9H2X6 15/20 0.57
▸ GSK3B P49841 14/20 0.57
▸ PIM1 P11309 14/20 0.57
▸ MAP4K4 O95819 11/20 0.57
▸ IRAK4 Q9NWZ3 8/20 0.57
▸ CLK4 Q9HAZ1 13/20 0.54
▸ DYRK1A Q13627 10/20 0.54
▸ CDK7 P50613 9/20 0.54
▸ CDK9 P50750 9/20 0.54
▸ STK17A Q9UEE5 9/20 0.54
▸ MELK Q14680 8/20 0.54
▸ CLK2 P49760 8/20 0.54
▸ CDK5 Q00535 8/20 0.54
▸ CDK8 P49336 7/20 0.54
▸ DAPK3 O43293 7/20 0.54
▸ PRKX P51817 7/20 0.54

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
SCHEMBL992877 0.91 CDC7 (0.58) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1050024 0.89 CDC7 (0.56) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1044893 0.87 CDC7 (0.69) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL992787 0.85 CDC7 (0.61) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL992864 0.85 CDC7 (0.47) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1046852 0.84 CDC7 (0.59) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1046863 0.83 CDC7 (0.64) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1045370 0.83 CDC7 (0.58) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1044514 0.83 CDC7 (0.58) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1051200 0.83 CDC7 (0.62) CDC7ROCK2PRKACACDK2HIPK2

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 4 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

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 1/4885ROCK2 373/4885PRKACA 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.

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