SCHEMBL1993213

SCHEMBL1993213

CN1CCCC(Cn2nc(C3=C(c4c[nH]c5ccsc45)C(=O)NC3=O)c3ccccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.56
PRKACG P22612 2/20 0.56
PRKACB P22694 2/20 0.56
CAMK2D Q13557 4/20 0.48
SIRT2 Q8IXJ6 1/20 0.43
PRKCA P17252 12/20 0.41
PRKCB P05771 11/20 0.41
GSK3B P49841 10/20 0.41
PRKCG P05129 8/20 0.41
PRKCD Q05655 8/20 0.41
PRKCH P24723 6/20 0.41
PRKCE Q02156 6/20 0.41
PRKCZ Q05513 2/20 0.41
CAMK2B Q13554 2/20 0.41
CAMK2G Q13555 2/20 0.41
CAMK2A Q9UQM7 2/20 0.41
SRC P12931 1/20 0.41
KCNH2 Q12809 2/20 0.40
PRKCQ Q04759 5/20 0.40
PIM1 P11309 2/20 0.40

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
SCHEMBL1991227 0.90 PRKACA (0.45) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1994915 0.88 PRKACA (0.55) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1993738 0.87 CAMK2D (0.46) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL2001825 0.86 CAMK2D (0.44) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1997364 0.86 CAMK2D (0.47) PRKACAPRKACGPRKACBCAMK2DPRKCA
SCHEMBL1990920 0.86 CAMK2D (0.47) PRKACAPRKACGPRKACBCAMK2DPRKCA
SCHEMBL1995881 0.86 CAMK2D (0.46) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1990902 0.86 CAMK2D (0.50) PRKACAPRKACGPRKACBCAMK2DPRKCA
SCHEMBL1990135 0.85 CAMK2D (0.46) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1993962 0.84 CAMK2D (0.45) PRKACAPRKACGPRKACBCAMK2DSIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PRKACA 947/4885PRKACG 1317/4885PRKACB 1285/4885

“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.