SCHEMBL1045533

SCHEMBL1045533

O=C(NCCS(=O)(=O)N[C@H]1CC[C@H](Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)CC1)c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.55
GSK3B P49841 10/20 0.55
ROCK2 O75116 12/20 0.50
PRKACA P17612 11/20 0.50
DYRK1A Q13627 10/20 0.50
CLK4 Q9HAZ1 10/20 0.50
CDK2 P24941 10/20 0.50
HIPK2 Q9H2X6 10/20 0.50
STK17A Q9UEE5 9/20 0.50
CDK8 P49336 9/20 0.50
MAP4K4 O95819 9/20 0.50
CDK9 P50750 8/20 0.50
CLK2 P49760 8/20 0.50
CDK5 Q00535 8/20 0.50
PIM1 P11309 8/20 0.50
DAPK3 O43293 7/20 0.50
PRKX P51817 7/20 0.50
MINK1 Q8N4C8 7/20 0.50
MAP4K5 Q9Y4K4 7/20 0.50
MELK Q14680 7/20 0.50

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
SCHEMBL1045534 1.00 CDC7 (0.55) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1045904 0.88 CDC7 (0.64) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1045903 0.88 CDC7 (0.64) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1044443 0.87 CDC7 (0.61) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1044444 0.87 CDC7 (0.61) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1046074 0.86 CDC7 (0.61) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1046075 0.86 CDC7 (0.61) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1043433 0.83 CDC7 (0.68) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1043435 0.83 CDC7 (0.68) CDC7GSK3BROCK2PRKACADYRK1A
SCHEMBL1048286 0.82 CDC7 (0.57) CDC7GSK3BROCK2PRKACADYRK1A

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 9 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
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 442/4885ROCK2 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.