SCHEMBL1046029

SCHEMBL1046029

Clc1cc(-c2c[nH]c3ncc(Nc4ccccc4)cc23)cc(NC2CCCCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 17/20 0.71
GSK3B P49841 6/20 0.71
DYRK1A Q13627 7/20 0.55
MELK Q14680 7/20 0.55
DAPK3 O43293 6/20 0.55
PRKACA P17612 6/20 0.55
HIPK2 Q9H2X6 6/20 0.55
CDK8 P49336 6/20 0.55
PKN2 Q16513 5/20 0.55
MINK1 Q8N4C8 5/20 0.55
PAK4 O96013 5/20 0.55
PRKX P51817 5/20 0.55
CLK4 Q9HAZ1 5/20 0.55
CHEK1 O14757 4/20 0.55
MAPK13 O15264 4/20 0.55
DYRK3 O43781 4/20 0.55
PRKCG P05129 4/20 0.55
CDK1 P06493 4/20 0.55
FER P16591 4/20 0.55
RPS6KB1 P23443 4/20 0.55

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
SCHEMBL935724 0.85 CDC7 (0.60) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL15190253 0.84 CDC7 (0.72) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1043587 0.83 CDC7 (1.00) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1043070 0.82 CDC7 (0.64) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1044321 0.82 CDC7 (0.64) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1045052 0.82 CDC7 (0.69) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1050995 0.82 CDC7 (0.69) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1045293 0.82 CDC7 (0.69) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1045896 0.82 CDC7 (0.69) CDC7GSK3BDYRK1AMELKDAPK3
SCHEMBL1045450 0.81 CDC7 (0.64) CDC7GSK3BDYRK1AMELKDAPK3

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 10 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-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US 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 1/4885GSK3B 442/4885DYRK1A 355/4885

“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.