SCHEMBL1045441

SCHEMBL1045441

CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 1.00
PRKACA P17612 20/20 1.00
DAPK3 O43293 19/20 1.00
CDK5 Q00535 19/20 1.00
HIPK2 Q9H2X6 19/20 1.00
MAP4K4 O95819 18/20 1.00
DYRK1A Q13627 18/20 1.00
CLK2 P49760 18/20 1.00
CDK7 P50613 18/20 1.00
PRKX P51817 18/20 1.00
PIM1 P11309 18/20 1.00
CDK2 P24941 18/20 1.00
MINK1 Q8N4C8 18/20 1.00
STK17A Q9UEE5 18/20 1.00
PAK4 O96013 17/20 1.00
MAP4K2 Q12851 17/20 1.00
CDK9 P50750 17/20 1.00
ROCK2 O75116 17/20 1.00
FLT3 P36888 17/20 1.00
PKN2 Q16513 17/20 1.00

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
SCHEMBL992965 0.90 CDC7 (0.81) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1043917 0.84 CDC7 (0.72) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL15190244 0.84 PIM1 (0.72) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1046787 0.82 CDC7 (1.00) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1049713 0.80 PRKACA (0.68) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1045920 0.80 CDC7 (0.66) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1044957 0.79 CDC7 (0.69) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1044798 0.79 CDC7 (0.65) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1046262 0.79 CDC7 (0.65) CDC7PRKACADAPK3CDK5HIPK2
SCHEMBL1045935 0.79 CDC7 (0.65) CDC7PRKACADAPK3CDK5HIPK2

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.