SCHEMBL992885

SCHEMBL992885

Clc1cc(-c2c[nH]c3ncccc23)nc(NCC2CCCO2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.63
PRKACA P17612 20/20 0.63
CDK2 P24941 19/20 0.63
HIPK2 Q9H2X6 19/20 0.63
DAPK3 O43293 19/20 0.63
CDK5 Q00535 19/20 0.63
MAP4K4 O95819 19/20 0.63
MINK1 Q8N4C8 18/20 0.63
STK17A Q9UEE5 18/20 0.63
CSNK1A1 P48729 18/20 0.63
DYRK1A Q13627 18/20 0.63
PAK4 O96013 18/20 0.63
CLK2 P49760 18/20 0.63
CDK7 P50613 18/20 0.63
PRKX P51817 18/20 0.63
MAP4K2 Q12851 18/20 0.63
PKN2 Q16513 17/20 0.63
ROCK2 O75116 17/20 0.63
FLT3 P36888 17/20 0.63
JAK3 P52333 17/20 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
SCHEMBL992827 0.83 CDC7 (0.62) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL2534132 0.80 CDC7 (0.64) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL992125 0.80 CDC7 (0.64) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL13888000 0.79 SMN1; SMN2 (0.55) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL1049814 0.77 CDC7 (1.00) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL1044941 0.77 CDC7 (1.00) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL1043917 0.77 CDC7 (0.72) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL1045920 0.77 CDC7 (0.66) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL1049713 0.77 PRKACA (0.68) CDC7PRKACACDK2HIPK2DAPK3
SCHEMBL1050498 0.76 CDC7 (1.00) CDC7PRKACACDK2HIPK2DAPK3

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 7 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
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 78/4885CDK2 52/4885

“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.