SCHEMBL934735

SCHEMBL934735

O=C(Nc1cc(-c2c[nH]c3nccnc23)cc(Cl)n1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.47
DYRK1A Q13627 9/20 0.47
CLK4 Q9HAZ1 8/20 0.47
CDK8 P49336 6/20 0.47
STK17A Q9UEE5 6/20 0.47
MAP4K4 O95819 6/20 0.47
MELK Q14680 5/20 0.47
DYRK1B Q9Y463 4/20 0.47
MAPK14 Q16539 2/20 0.47
ROCK2 O75116 11/20 0.46
PRKACA P17612 10/20 0.46
CDK2 P24941 9/20 0.46
HIPK2 Q9H2X6 9/20 0.46
CLK2 P49760 5/20 0.46
CDK5 Q00535 5/20 0.46
CDK7 P50613 5/20 0.46
CDK9 P50750 5/20 0.46
DAPK3 O43293 4/20 0.46
PRKX P51817 4/20 0.46
PKN2 Q16513 4/20 0.46

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
SCHEMBL1046548 0.85 CDC7 (0.67) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL934901 0.82 CDC7 (0.52) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL934902 0.82 CDC7 (0.52) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL934734 0.79 CDC7 (0.51) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL935432 0.77 CDC7 (0.76) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL934344 0.77 CDC7 (0.49) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL934342 0.77 CDC7 (0.49) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL935393 0.77 CDC7 (0.43) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL935168 0.77 CDC7 (0.58) CDC7DYRK1ACLK4CDK8STK17A
SCHEMBL935166 0.77 CDC7 (0.58) CDC7DYRK1ACLK4CDK8STK17A

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-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP claimed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US claimed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US claimed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 CDC7 1/4885DYRK1A 342/4885CLK4 347/4885

“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.