SCHEMBL970398

SCHEMBL970398

CN1CCCC(Nc2cc(-c3cn(S(=O)(=O)c4ccccc4)c4nccnc34)cc(Cl)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
GSK3B P49841 1/20 0.39
PFKFB3 Q16875 1/20 0.38
GHSR Q92847 2/20 0.36
IL1B P01584 3/20 0.36
HTR6 P50406 4/20 0.36
NLRP3 Q96P20 2/20 0.36
CDK2 P24941 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNK O75909 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK9 P50750 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
KAT2B Q92831 2/20 0.34
CHEK1 O14757 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CCNA2 P20248 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL970112 0.87 HTR6 (0.38) CDC7GSK3BPFKFB3HTR6CDK2
SCHEMBL972080 0.85 USP30 (0.42) HTR6PIM1PIM2EGFR
SCHEMBL952331 0.79 CYP2C19 (0.44) HTR6CDK2CCNE1
SCHEMBL1050976 0.79 CDC7 (0.56) CDC7GSK3BHTR6CDK2CCNE1
SCHEMBL951971 0.79 CDC7 (0.43) CDC7GSK3BCDK2CCNE1CHEK1
SCHEMBL1050682 0.78 CDC7 (0.47) CDC7GSK3BHTR6CDK2CHEK1
SCHEMBL1050241 0.77 CDC7 (0.44) CDC7GSK3BCDK2CHEK1CCNA2
SCHEMBL970581 0.76 ITK (0.43) CDC7GSK3BCDK2CCNT1CCNE1
SCHEMBL958790 0.76 MAPK14 (0.51) CDC7
SCHEMBL1051102 0.75 CDC7 (0.45) CDC7GSK3BCHEK1EGFR

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 CDC7 1/4885GSK3B 307/4885PFKFB3 660/4885

“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.