SCHEMBL935037

SCHEMBL935037

CN1CCCC(CNc2cc(-c3c[nH]c4nccnc34)cc(Cl)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.44
CDC7 O00311 15/20 0.44
PRKACA P17612 15/20 0.44
CDK2 P24941 14/20 0.44
HIPK2 Q9H2X6 14/20 0.44
GSK3B P49841 13/20 0.44
PIM1 P11309 13/20 0.44
IRAK4 Q9NWZ3 9/20 0.44
CDK9 P50750 9/20 0.44
CDK7 P50613 8/20 0.44
CLK4 Q9HAZ1 10/20 0.44
MAP4K4 O95819 9/20 0.44
CLK2 P49760 7/20 0.44
CDK5 Q00535 7/20 0.44
DYRK1A Q13627 7/20 0.44
ROCK1 Q13464 6/20 0.44
DAPK3 O43293 6/20 0.44
PRKX P51817 6/20 0.44
MELK Q14680 6/20 0.44
PKN2 Q16513 6/20 0.44

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
SCHEMBL935404 0.87 CDC7 (0.48) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL992787 0.87 CDC7 (0.61) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL935164 0.84 CDC7 (0.55) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL1044514 0.77 CDC7 (0.58) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL935124 0.76 CDC7 (0.52) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL1046852 0.76 CDC7 (0.59) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL1045370 0.75 CDC7 (0.58) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL992877 0.75 CDC7 (0.58) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL1051200 0.75 CDC7 (0.62) ROCK2CDC7PRKACACDK2HIPK2
SCHEMBL934391 0.74 KCNH2 (0.38) IRAK4CDK9CAMK2DCCNT1PRKCQ

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
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
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 ROCK2 323/4885CDC7 1/4885PRKACA 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.