SCHEMBL1046262

SCHEMBL1046262

Clc1cc(-c2c[nH]c3ncccc23)nc(NCc2ccncc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.65
PRKACA P17612 17/20 0.65
DAPK3 O43293 16/20 0.65
CDK5 Q00535 16/20 0.65
DYRK1A Q13627 16/20 0.65
HIPK2 Q9H2X6 16/20 0.65
CDK2 P24941 16/20 0.65
CLK2 P49760 15/20 0.65
CDK7 P50613 15/20 0.65
PRKX P51817 15/20 0.65
PIM1 P11309 15/20 0.65
STK17A Q9UEE5 15/20 0.65
FLT3 P36888 15/20 0.65
CSNK1A1 P48729 14/20 0.65
PAK4 O96013 14/20 0.65
GSK3B P49841 14/20 0.65
MAP4K4 O95819 14/20 0.65
CDK9 P50750 14/20 0.65
PKN2 Q16513 14/20 0.65
MINK1 Q8N4C8 14/20 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 0.92 PRKACA (0.68) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL1044498 0.90 CDC7 (0.64) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL1046212 0.89 PRKACA (0.63) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL994464 0.85 CDC7 (0.61) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL1044798 0.84 CDC7 (0.65) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL15172141 0.84 CDK2 (0.68) CDC7PRKACACDK5HIPK2CDK2
SCHEMBL1043917 0.83 CDC7 (0.72) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL1045920 0.83 CDC7 (0.66) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL1045953 0.81 ROCK2 (0.86) CDC7PRKACADAPK3CDK5DYRK1A
SCHEMBL1044957 0.81 CDC7 (0.69) CDC7PRKACADAPK3CDK5DYRK1A

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.