SCHEMBL1995932

SCHEMBL1995932

O=C1NC(=O)C(c2nn(C3CCN4CCNCC4C3)c3ccccc23)=C1c1c[nH]c2sccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 13/20 0.37
PRKCD Q05655 13/20 0.37
PRKCH P24723 12/20 0.37
PRKCE Q02156 12/20 0.37
PRKCB P05771 12/20 0.37
PRKCQ Q04759 9/20 0.37
CAMK2D Q13557 8/20 0.37
CAMK2A Q9UQM7 5/20 0.37
PRKCG P05129 5/20 0.37
GSK3A P49840 4/20 0.37
PRKCZ Q05513 4/20 0.37
CAMK2B Q13554 4/20 0.37
CAMK2G Q13555 4/20 0.37
PIM1 P11309 3/20 0.37
PRKACA P17612 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
MARK3 P27448 2/20 0.37
LTK P29376 2/20 0.37
GRK5 P34947 2/20 0.37

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
SCHEMBL1995229 0.88 CAMK2D (0.38) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1997712 0.88 PRKCA (0.42) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1993469 0.88 PRKCB (0.38) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1994823 0.85 PRKCA (0.43) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1992318 0.85 CAMK2D (0.51) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1990972 0.83 PRKCB (0.51) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1991096 0.81 PRKCA (0.39) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1991764 0.81 CAMK2D (0.44) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1993242 0.81 PRKCH (0.45) PRKCAPRKCDPRKCHPRKCEPRKCB
SCHEMBL1996716 0.79 CAMK2D (0.39) PRKCAPRKCDPRKCHPRKCEPRKCB

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 PRKCA 3438/4885PRKCD 2857/4885PRKCH 3138/4885

“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.