SCHEMBL1049375

SCHEMBL1049375

Cc1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(O)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 19/20 1.00
GSK3B P49841 7/20 0.65
DAPK3 O43293 6/20 0.65
PAK4 O96013 6/20 0.65
PRKACA P17612 6/20 0.65
CDK8 P49336 6/20 0.65
PRKX P51817 6/20 0.65
MAP4K2 Q12851 6/20 0.65
STK3 Q13188 6/20 0.65
MELK Q14680 6/20 0.65
MINK1 Q8N4C8 6/20 0.65
HIPK2 Q9H2X6 6/20 0.65
MAP4K5 Q9Y4K4 6/20 0.65
PRKD3 O94806 5/20 0.65
PIM1 P11309 5/20 0.65
CDK2 P24941 5/20 0.65
FLT3 P36888 5/20 0.65
CLK2 P49760 5/20 0.65
CDK9 P50750 5/20 0.65
JAK3 P52333 5/20 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
SCHEMBL1049374 1.00 CDC7 (1.00) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1048451 0.90 CDC7 (1.00) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1045417 0.87 CDC7 (0.82) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL15190316 0.87 CDC7 (0.82) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1048257 0.85 CDC7 (1.00) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1048256 0.85 CDC7 (1.00) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1050864 0.84 CDC7 (1.00) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1050866 0.84 CDC7 (1.00) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1045476 0.80 CDC7 (0.74) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL1044773 0.78 CDC7 (0.78) CDC7GSK3BDAPK3PAK4PRKACA

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 3 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
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 1/4885GSK3B 442/4885DAPK3 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.