SCHEMBL972080

SCHEMBL972080

CC(C)(C)OC(=O)N1CCCC(Nc2cc(-c3cn(S(=O)(=O)c4ccccc4)c4nccnc34)cc(Cl)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.42
HTR6 P50406 3/20 0.41
BCHE P06276 2/20 0.41
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
BRD4 O60885 2/20 0.37
PARP1 P09874 1/20 0.37
PRMT5 O14744 2/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
APLNR P35414 1/20 0.36
ANO1 Q5XXA6 1/20 0.36

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
SCHEMBL970398 0.85 CDC7 (0.39) HTR6PIM1PIM2EGFR
SCHEMBL1048604 0.82 BRD4 (0.43) USP30HTR6CNR1CNR2BRD4
SCHEMBL1046987 0.81 HTR6 (0.39) USP30HTR6BCHECNR1CNR2
SCHEMBL1051244 0.80 GPR119 (0.41) HTR6CNR1CNR2BRD4PRMT5
SCHEMBL1047181 0.80 HTR6 (0.48) USP30HTR6BCHEBRD4APLNR
SCHEMBL970112 0.75 HTR6 (0.38) USP30HTR6PIM1
SCHEMBL30204065 0.74 DGAT2 (0.41) USP30HTR6BCHEPIM1PIM2
SCHEMBL25596655 0.74 DGAT2 (0.41) USP30HTR6BCHEPIM1PIM2
SCHEMBL958790 0.74 MAPK14 (0.51)
SCHEMBL952331 0.74 CYP2C19 (0.44) HTR6BRD4

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 USP30 2477/4885HTR6 4700/4885BCHE 4284/4885

“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.