SCHEMBL951971

SCHEMBL951971

O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(NC3CCCCC3)c2)c2nc(Br)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.43
GSK3B P49841 3/20 0.43
CDK1 P06493 2/20 0.34
CHEK1 O14757 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
EGFR P00533 1/20 0.34
PRKCG P05129 1/20 0.34
LYN P07948 1/20 0.34
ROS1 P08922 1/20 0.34
FER P16591 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MARK3 P27448 1/20 0.34
MAPK1 P28482 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL1051375 0.88 CDC7 (0.45) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1046970 0.85 CDC7 (0.45) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1051102 0.85 CDC7 (0.45) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL970581 0.84 ITK (0.43) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1050976 0.84 CDC7 (0.56) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1051749 0.84 CDC7 (0.46) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1050749 0.84 CDC7 (0.44) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1049579 0.83 CDC7 (0.43) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1051263 0.83 CCR6 (0.44) CDC7GSK3BCDK1CHEK1MAPK13
SCHEMBL1050742 0.82 CDC7 (0.45) CDC7GSK3BCDK1CHEK1MAPK13

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 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 307/4885CDK1 5/4885

“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.