SCHEMBL1044798

SCHEMBL1044798

Clc1cc(-c2c[nH]c3ncccc23)nc(NCc2ccccn2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.65
DAPK3 O43293 18/20 0.65
PRKACA P17612 18/20 0.65
CDK5 Q00535 18/20 0.65
DYRK1A Q13627 18/20 0.65
CLK2 P49760 17/20 0.65
CDK7 P50613 17/20 0.65
PRKX P51817 17/20 0.65
HIPK2 Q9H2X6 17/20 0.65
STK17A Q9UEE5 17/20 0.65
CDK2 P24941 17/20 0.65
CSNK1A1 P48729 16/20 0.65
MAP4K4 O95819 16/20 0.65
PIM1 P11309 16/20 0.65
MINK1 Q8N4C8 16/20 0.65
PAK4 O96013 16/20 0.65
CDK9 P50750 16/20 0.65
PKN2 Q16513 16/20 0.65
FLT3 P36888 16/20 0.65
MAP4K2 Q12851 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
SCHEMBL1049713 0.88 PRKACA (0.68) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL1046262 0.84 CDC7 (0.65) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL1044498 0.83 CDC7 (0.64) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL1043917 0.83 CDC7 (0.72) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL1045920 0.83 CDC7 (0.66) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL1046212 0.83 PRKACA (0.63) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL994464 0.81 CDC7 (0.61) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL1044957 0.81 CDC7 (0.69) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL992965 0.79 CDC7 (0.81) CDC7DAPK3PRKACACDK5DYRK1A
SCHEMBL1045441 0.79 CDC7 (1.00) CDC7DAPK3PRKACACDK5DYRK1A

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 1/4885DAPK3 350/4885PRKACA 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.