SCHEMBL1995136

SCHEMBL1995136

COCCN1CCCC(Cn2nc(C3=C(c4c[nH]c5sccc45)C(=O)NC3=O)c3ccccc32)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 3/20 0.44
PRKACG P22612 3/20 0.44
PRKACB P22694 3/20 0.44
CAMK2D Q13557 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.39
GSK3B P49841 10/20 0.39
PRKCG P05129 6/20 0.39
PRKCB P05771 6/20 0.39
PRKCA P17252 6/20 0.39
PRKCD Q05655 2/20 0.39
KCNH2 Q12809 5/20 0.38
GHSR Q92847 3/20 0.37
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 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
SCHEMBL1992095 0.96 CAMK2D (0.43) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1990609 0.91 CAMK2D (0.44) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1994915 0.90 PRKACA (0.55) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1991227 0.89 PRKACA (0.45) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL2001825 0.85 CAMK2D (0.44) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1992218 0.84 CAMK2D (0.49) PRKACAPRKACGPRKACBCAMK2DGSK3B
SCHEMBL1996421 0.84 CAMK2D (0.50) PRKACAPRKACGPRKACBCAMK2DGSK3B
SCHEMBL1990666 0.83 CAMK2D (0.43) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1993511 0.83 CAMK2D (0.45) PRKACAPRKACGPRKACBCAMK2DGSK3B
SCHEMBL1997672 0.82 PRKACA (0.43) 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.