SCHEMBL1048451

SCHEMBL1048451

Cc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)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 3/20 0.77
CDK1 P06493 3/20 0.64
PRKACA P17612 3/20 0.64
HIPK2 Q9H2X6 3/20 0.64
MKNK2 Q9HBH9 3/20 0.64
IRAK4 Q9NWZ3 3/20 0.64
TYK2 P29597 2/20 0.64
PIM3 Q86V86 2/20 0.64
CHEK1 O14757 2/20 0.64
MAPK13 O15264 2/20 0.64
DAPK3 O43293 2/20 0.64
DYRK3 O43781 2/20 0.64
PRKCG P05129 2/20 0.64
FER P16591 2/20 0.64
RPS6KB1 P23443 2/20 0.64
MARK3 P27448 2/20 0.64
MAPK1 P28482 2/20 0.64
FLT4 P35916 2/20 0.64
MAPK9 P45984 2/20 0.64

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 0.90 CDC7 (1.00) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1049375 0.90 CDC7 (1.00) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1043587 0.87 CDC7 (1.00) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1049815 0.84 CDC7 (1.00) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1050904 0.84 CDC7 (1.00) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1046067 0.83 CDC7 (0.94) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1045779 0.82 CDC7 (0.90) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1045782 0.82 CDC7 (0.90) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1043448 0.80 CDC7 (0.86) CDC7GSK3BCDK1PRKACAHIPK2
SCHEMBL1043445 0.80 CDC7 (0.86) CDC7GSK3BCDK1PRKACAHIPK2

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 1/4885GSK3B 442/4885CDK1 3/4885

“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.