SCHEMBL936028

SCHEMBL936028

Clc1cc(-c2c[nH]c3nccnc23)cc(NC2CCCNC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.57
GSK3B P49841 4/20 0.57
CDK2 P24941 11/20 0.46
CDK9 P50750 11/20 0.46
CCNT1 O60563 9/20 0.46
CCNK O75909 9/20 0.46
CCNE1 P24864 9/20 0.46
CDK12 Q9NYV4 9/20 0.46
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 4/20 0.45
CDC42BPB Q9Y5S2 3/20 0.45
DAPK3 O43293 3/20 0.45
PAK4 O96013 3/20 0.45
PRKACA P17612 3/20 0.45
CDK8 P49336 3/20 0.45
PRKX P51817 3/20 0.45
MAP4K2 Q12851 3/20 0.45
STK3 Q13188 3/20 0.45
DYRK1A Q13627 3/20 0.45
MELK Q14680 3/20 0.45

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
SCHEMBL934236 0.88 CDC7 (0.71) CDC7GSK3BCDK2CDK9ROCK2
SCHEMBL1045663 0.85 CDC7 (0.80) CDC7GSK3BCDK2CDK9CCNT1
SCHEMBL935168 0.83 CDC7 (0.58) CDC7GSK3BCDK2CDK9ROCK2
SCHEMBL935166 0.83 CDC7 (0.58) CDC7GSK3BCDK2CDK9ROCK2
SCHEMBL1014568 0.82 CDC7 (0.56) CDC7GSK3BCDK2CDK9ROCK2
SCHEMBL935164 0.82 CDC7 (0.55) CDC7GSK3BCDK2CDK9CCNT1
SCHEMBL6128670 0.81 CDC7 (0.54) CDC7GSK3BCDK2CDK9ROCK2
SCHEMBL935124 0.79 CDC7 (0.52) CDC7GSK3BCDK2CDK9CCNT1
SCHEMBL14713224 0.79 CDC7 (0.54) CDC7GSK3BCDK2CDK9ROCK2
SCHEMBL934386 0.79 CDC7 (0.56) CDC7GSK3BCDK2CDK9ROCK2

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 1/4885GSK3B 307/4885CDK2 43/4885

“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.