SCHEMBL935448

SCHEMBL935448

OC1CCC(Nc2cc(-c3c[nH]c4ncc(Cl)nc34)cc(Cl)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.52
GSK3B P49841 5/20 0.52
JAK3 P52333 15/20 0.51
DAPK3 O43293 4/20 0.51
PRKD3 O94806 4/20 0.51
PAK4 O96013 4/20 0.51
PIM1 P11309 4/20 0.51
PRKACA P17612 4/20 0.51
CDK2 P24941 4/20 0.51
FLT3 P36888 4/20 0.51
CDK8 P49336 4/20 0.51
CLK2 P49760 4/20 0.51
CDK9 P50750 4/20 0.51
PRKX P51817 4/20 0.51
CDK5 Q00535 4/20 0.51
MAP4K2 Q12851 4/20 0.51
STK3 Q13188 4/20 0.51
MELK Q14680 4/20 0.51
MINK1 Q8N4C8 4/20 0.51
HIPK2 Q9H2X6 4/20 0.51

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
SCHEMBL934819 0.90 CDC7 (0.49) CDC7GSK3BJAK3DAPK3PRKD3
SCHEMBL935104 0.90 CDC7 (0.64) CDC7GSK3BJAK3DAPK3PAK4
SCHEMBL935168 0.88 CDC7 (0.58) CDC7GSK3BJAK3DAPK3PRKD3
SCHEMBL935166 0.88 CDC7 (0.58) CDC7GSK3BJAK3DAPK3PRKD3
SCHEMBL1083526 0.80 CDC7 (0.55) CDC7GSK3BJAK3DAPK3PRKD3
SCHEMBL934895 0.80 CDC7 (0.57) CDC7GSK3BJAK3DAPK3PAK4
SCHEMBL1083528 0.80 CDC7 (0.55) CDC7GSK3BJAK3DAPK3PRKD3
SCHEMBL935403 0.79 CDC7 (0.56) CDC7GSK3BJAK3DAPK3PAK4
SCHEMBL15190316 0.78 CDC7 (0.82) CDC7GSK3BJAK3DAPK3PRKD3
SCHEMBL1045417 0.78 CDC7 (0.82) CDC7GSK3BJAK3DAPK3PRKD3

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 9 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
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 307/4885JAK3 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.