SCHEMBL1041676

SCHEMBL1041676

Clc1cc(-c2c[nH]c3ncccc23)cc(N2CCCCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 17/20 0.64
GSK3B P49841 13/20 0.64
CDK2 P24941 16/20 0.62
ROCK2 O75116 15/20 0.62
PRKACA P17612 14/20 0.62
HIPK2 Q9H2X6 14/20 0.62
PIM1 P11309 13/20 0.62
CLK4 Q9HAZ1 11/20 0.62
MAP4K4 O95819 10/20 0.62
CDK9 P50750 9/20 0.62
DYRK1A Q13627 8/20 0.62
STK17A Q9UEE5 8/20 0.62
CDK7 P50613 7/20 0.62
MELK Q14680 7/20 0.62
DAPK3 O43293 6/20 0.62
CLK2 P49760 6/20 0.62
PRKX P51817 6/20 0.62
CDK5 Q00535 6/20 0.62
PKN2 Q16513 6/20 0.62
ROCK1 Q13464 6/20 0.62

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
SCHEMBL1042035 0.84 CDC7 (0.60) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL1050177 0.84 CDC7 (0.66) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL1043490 0.83 CDC7 (0.82) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL1043643 0.82 CDC7 (0.62) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL1051923 0.82 CDC7 (0.61) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL1043587 0.78 CDC7 (1.00) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL1043673 0.77 CDC7 (1.00) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL15190133 0.77 CDC7 (0.71) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL1046067 0.76 CDC7 (0.94) CDC7GSK3BCDK2ROCK2PRKACA
SCHEMBL15190532 0.75 CDC7 (0.58) CDC7GSK3BCDK2ROCK2PRKACA

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 442/4885CDK2 52/4885

“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.