SCHEMBL1046863

SCHEMBL1046863

O=C(C1CC1)N1CCCC(C2CCC(Nc3cc(-c4c[nH]c5ncccc45)cc(Cl)n3)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.64
GSK3B P49841 7/20 0.64
CDK8 P49336 9/20 0.52
DYRK1A Q13627 9/20 0.52
CLK4 Q9HAZ1 9/20 0.52
PRKACA P17612 8/20 0.52
MELK Q14680 7/20 0.52
HIPK2 Q9H2X6 7/20 0.52
STK17A Q9UEE5 7/20 0.52
ROCK2 O75116 7/20 0.52
DYRK1B Q9Y463 6/20 0.52
DAPK3 O43293 6/20 0.52
PRKX P51817 6/20 0.52
MINK1 Q8N4C8 6/20 0.52
MAP4K5 Q9Y4K4 6/20 0.52
CDK2 P24941 6/20 0.52
CLK2 P49760 6/20 0.52
CDK5 Q00535 6/20 0.52
PAK4 O96013 5/20 0.52
MAP4K2 Q12851 5/20 0.52

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
SCHEMBL1044893 0.91 CDC7 (0.69) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1040867 0.91 CDC7 (0.67) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1046391 0.88 CDC7 (0.71) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1050515 0.86 CDC7 (0.67) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1046384 0.85 CDC7 (0.70) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL15190036 0.84 CDC7 (0.69) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1045865 0.84 CDC7 (0.66) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1043092 0.84 CDC7 (0.68) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1051692 0.84 CDC7 (0.68) CDC7GSK3BCDK8DYRK1ACLK4
SCHEMBL1049777 0.83 CDC7 (0.57) CDC7GSK3BCDK8DYRK1ACLK4

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 442/4885CDK8 61/4885

“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.