SCHEMBL935536

SCHEMBL935536

Nc1cc(-c2c[nH]c3nccnc23)cc(Cl)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 15/20 0.65
PIM1 P11309 14/20 0.65
PRKACA P17612 14/20 0.65
GSK3B P49841 14/20 0.65
ROCK2 O75116 13/20 0.65
CDK2 P24941 13/20 0.65
HIPK2 Q9H2X6 13/20 0.65
MAP4K4 O95819 10/20 0.65
CLK4 Q9HAZ1 10/20 0.65
CDK7 P50613 7/20 0.65
CDK9 P50750 7/20 0.65
DYRK1A Q13627 7/20 0.65
DAPK3 O43293 6/20 0.65
PRKD3 O94806 6/20 0.65
PAK4 O96013 6/20 0.65
CSNK1A1 P48729 6/20 0.65
CLK2 P49760 6/20 0.65
PRKX P51817 6/20 0.65
CDK5 Q00535 6/20 0.65
ROCK1 Q13464 6/20 0.65

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
SCHEMBL968641 0.89 CDC7 (0.50) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL1043673 0.79 CDC7 (1.00) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL955724 0.74 ROCK2 (0.45) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL15673799 0.73 CDC7 (0.73) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL972547 0.73 CDC7 (0.38) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL934236 0.73 CDC7 (0.71) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL935166 0.72 CDC7 (0.58) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL935168 0.72 CDC7 (0.58) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL935432 0.71 CDC7 (0.76) CDC7PIM1PRKACAGSK3BROCK2
SCHEMBL934735 0.70 CDC7 (0.47) CDC7PIM1PRKACAGSK3BROCK2

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 11 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
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
CN-102471345-A Pyrrolopyrazine inhibitors of kinases ABBOTT LAB 2012-05-23 CN 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
CN-102471345-A Pyrrolopyrazine inhibitors of kinases ABBOTT LAB 2012-05-23 CN 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 1/4885PIM1 520/4885PRKACA 125/4885

“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.