SCHEMBL1046212

SCHEMBL1046212

Oc1ccc(CNc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 19/20 0.63
CDC7 O00311 19/20 0.63
DAPK3 O43293 18/20 0.63
CDK5 Q00535 18/20 0.63
HIPK2 Q9H2X6 18/20 0.63
CLK2 P49760 17/20 0.63
CDK7 P50613 17/20 0.63
PRKX P51817 17/20 0.63
PIM1 P11309 17/20 0.63
STK17A Q9UEE5 17/20 0.63
DYRK1A Q13627 17/20 0.63
CDK2 P24941 17/20 0.63
FLT3 P36888 17/20 0.63
CSNK1A1 P48729 16/20 0.63
PAK4 O96013 16/20 0.63
GSK3B P49841 16/20 0.63
CDK9 P50750 16/20 0.63
PKN2 Q16513 16/20 0.63
MINK1 Q8N4C8 16/20 0.63
MAP4K4 O95819 16/20 0.63

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 0.90 PRKACA (0.68) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL994464 0.90 CDC7 (0.61) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL1046262 0.89 CDC7 (0.65) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL1044498 0.86 CDC7 (0.64) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL15190059 0.84 PIM1 (0.58) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL1045920 0.84 CDC7 (0.66) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL1044798 0.83 CDC7 (0.65) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL1043917 0.81 CDC7 (0.72) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL992965 0.79 CDC7 (0.81) PRKACACDC7DAPK3CDK5HIPK2
SCHEMBL1044957 0.79 CDC7 (0.69) PRKACACDC7DAPK3CDK5HIPK2

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 8 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
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 PRKACA 78/4885CDC7 1/4885DAPK3 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.