SCHEMBL970581

SCHEMBL970581

O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(NC3CCC(O)CC3)c2)c2nc(Cl)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.43
CDC7 O00311 6/20 0.38
GSK3B P49841 2/20 0.38
PIM1 P11309 4/20 0.38
PIM2 Q9P1W9 2/20 0.38
CDK2 P24941 2/20 0.38
FLT3 P36888 2/20 0.38
CHEK1 O14757 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
PRKCG P05129 1/20 0.38

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
SCHEMBL1044478 0.85 CDC7 (0.48) ITKCDC7GSK3BPIM1PIM2
SCHEMBL1044476 0.85 CDC7 (0.48) ITKCDC7GSK3BPIM1PIM2
SCHEMBL951971 0.84 CDC7 (0.43) CDC7GSK3BCDK2FLT3CHEK1
SCHEMBL1046970 0.79 CDC7 (0.45) CDC7GSK3BCDK2FLT3CHEK1
SCHEMBL1051102 0.79 CDC7 (0.45) ITKCDC7GSK3BCHEK1MAPK13
SCHEMBL15190079 0.79 PDPK1 (0.41) ITKCDC7GSK3BCDK2FLT3
SCHEMBL15190080 0.79 PDPK1 (0.41) ITKCDC7GSK3BCDK2FLT3
SCHEMBL1051375 0.77 CDC7 (0.45) CDC7GSK3BCDK2FLT3CHEK1
SCHEMBL15190162 0.77 PDPK1 (0.44) CDK2PDPK1
SCHEMBL15190163 0.77 PDPK1 (0.44) CDK2PDPK1

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 3 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
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 ITK 758/4885CDC7 1/4885GSK3B 307/4885

“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.