SCHEMBL972966

SCHEMBL972966

CCN1CCC(C(=O)NC2CCC(Nc3cc(-c4c[nH]c5nccnc45)cc(Cl)n3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.44
GSK3B P49841 9/20 0.44
JAK3 P52333 11/20 0.40
PRKACA P17612 10/20 0.40
DYRK1A Q13627 10/20 0.40
ROCK2 O75116 9/20 0.40
CLK2 P49760 9/20 0.40
CDK5 Q00535 9/20 0.40
DAPK3 O43293 9/20 0.40
PRKX P51817 9/20 0.40
MINK1 Q8N4C8 9/20 0.40
HIPK2 Q9H2X6 9/20 0.40
MAP4K5 Q9Y4K4 9/20 0.40
CDK2 P24941 8/20 0.40
CDK9 P50750 8/20 0.40
STK17A Q9UEE5 8/20 0.40
PKN2 Q16513 8/20 0.40
PAK4 O96013 8/20 0.40
MAP4K2 Q12851 8/20 0.40
STK3 Q13188 8/20 0.40

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
SCHEMBL972965 1.00 CDC7 (0.44) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL1045145 0.88 CDC7 (0.61) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL1045147 0.88 CDC7 (0.61) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL934901 0.87 CDC7 (0.52) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL934902 0.87 CDC7 (0.52) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL1046693 0.84 CDC7 (0.43) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL1046694 0.84 CDC7 (0.43) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL935147 0.82 CDC7 (0.47) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL935149 0.82 CDC7 (0.47) CDC7GSK3BJAK3PRKACADYRK1A
SCHEMBL935124 0.82 CDC7 (0.52) CDC7GSK3BJAK3PRKACADYRK1A

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 5 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US 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
US-20110015172-A1 PYRROLOPYRAZINE 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 CDC7 1/4885GSK3B 307/4885JAK3 469/4885

“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.