SCHEMBL935499

SCHEMBL935499

O=C(Nc1cc(-c2c[nH]c3nccnc23)cc(Cl)n1)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.66
CLK4 Q9HAZ1 6/20 0.66
CDK8 P49336 5/20 0.66
DYRK1A Q13627 5/20 0.66
MAP4K4 O95819 5/20 0.66
DYRK1B Q9Y463 4/20 0.66
STK17A Q9UEE5 4/20 0.66
MELK Q14680 3/20 0.66
MAPK14 Q16539 1/20 0.66
ROCK2 O75116 8/20 0.55
LRRK2 Q5S007 2/20 0.55
ROCK1 Q13464 2/20 0.55
PRKACA P17612 7/20 0.52
CDK2 P24941 6/20 0.52
HIPK2 Q9H2X6 6/20 0.52
CLK2 P49760 3/20 0.52
CDK5 Q00535 3/20 0.52
CDK7 P50613 3/20 0.52
CDK9 P50750 3/20 0.52
DAPK3 O43293 2/20 0.52

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
SCHEMBL935432 0.91 CDC7 (0.76) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL1043016 0.88 CDC7 (0.85) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL1046336 0.79 CDC7 (1.00) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL934735 0.75 CDC7 (0.47) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL12707482 0.75 MAPK1 (0.48) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL968641 0.74 CDC7 (0.50) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL934923 0.74 CDC7 (0.74) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL30208810 0.72 MAPK1 (0.72) DYRK1ADYRK1BROCK2LRRK2ROCK1
SCHEMBL1045884 0.71 CDC7 (0.77) CDC7CLK4CDK8DYRK1AMAP4K4
SCHEMBL1045438 0.71 CDC7 (1.00) CDC7CLK4CDK8DYRK1AMAP4K4

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 1/4885CLK4 347/4885CDK8 79/4885

“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.