SCHEMBL1045577

SCHEMBL1045577

N#Cc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 1.00
CDK2 P24941 14/20 0.72
ROCK2 O75116 13/20 0.72
PIM1 P11309 13/20 0.72
PRKACA P17612 13/20 0.72
HIPK2 Q9H2X6 13/20 0.72
GSK3B P49841 12/20 0.72
IRAK4 Q9NWZ3 8/20 0.72
FLT3 P36888 6/20 0.72
JAK3 P52333 6/20 0.72
DYRK1A Q13627 6/20 0.72
CDK7 P50613 6/20 0.72
CDK9 P50750 6/20 0.72
DAPK3 O43293 5/20 0.72
PRKD3 O94806 5/20 0.72
PAK4 O96013 5/20 0.72
CSNK1A1 P48729 5/20 0.72
CLK2 P49760 5/20 0.72
PRKX P51817 5/20 0.72
CAMK2D Q13557 5/20 0.72

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
SCHEMBL1083529 0.84 CDC7 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1044049 0.84 ROCK2 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL8992634 0.81 CDC7 (0.72) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1050119 0.80 CDC7 (0.70) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1045953 0.77 ROCK2 (0.86) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1049815 0.76 CDC7 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL992341 0.76 ROCK2 (0.84) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1048256 0.76 CDC7 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1048257 0.76 CDC7 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1044366 0.76 CDC7 (0.80) CDC7CDK2ROCK2PIM1PRKACA

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 5 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 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 1/4885CDK2 52/4885ROCK2 373/4885

“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.