SCHEMBL1045935

SCHEMBL1045935

NCCOCCNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.65
PRKACA P17612 18/20 0.65
DAPK3 O43293 17/20 0.65
CDK5 Q00535 17/20 0.65
CDK7 P50613 17/20 0.65
HIPK2 Q9H2X6 17/20 0.65
CDK2 P24941 17/20 0.65
CDK9 P50750 17/20 0.65
PIM1 P11309 16/20 0.65
MAP4K4 O95819 16/20 0.65
DYRK1A Q13627 16/20 0.65
CLK2 P49760 16/20 0.65
PRKX P51817 16/20 0.65
MINK1 Q8N4C8 16/20 0.65
STK17A Q9UEE5 16/20 0.65
CSNK1A1 P48729 15/20 0.65
GSK3B P49841 15/20 0.65
PAK4 O96013 15/20 0.65
MAP4K2 Q12851 15/20 0.65
ROCK2 O75116 15/20 0.65

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
SCHEMBL1045283 0.99 CDC7 (0.64) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL1046831 0.90 CDC7 (0.60) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL1043917 0.90 CDC7 (0.72) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL1044957 0.87 CDC7 (0.69) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL15190336 0.84 PIM1 (0.57) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL15190282 0.83 PIM1 (0.56) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL1045920 0.83 CDC7 (0.66) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL1049713 0.79 PRKACA (0.68) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL1045441 0.79 CDC7 (1.00) CDC7PRKACADAPK3CDK5CDK7
SCHEMBL2527528 0.78 CDC7 (0.63) CDC7PRKACADAPK3CDK5CDK7

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
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 1/4885PRKACA 78/4885DAPK3 350/4885

“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.