SCHEMBL1993469

SCHEMBL1993469

O=C1NC(=O)C(c2nn(C3CCN4CCOCC4C3)c3ccccc23)=C1c1c[nH]c2sccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 9/20 0.38
PRKCA P17252 9/20 0.38
PRKCE Q02156 6/20 0.38
PRKCD Q05655 4/20 0.38
PRKCH P24723 3/20 0.38
PRKCQ Q04759 3/20 0.38
GSK3B P49841 15/20 0.37
PRKCG P05129 8/20 0.37
CAMK2D Q13557 2/20 0.37
SRC P12931 1/20 0.37
PRKCZ Q05513 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1994345 0.89 PRKCA (0.40) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1997712 0.88 PRKCA (0.42) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1995932 0.88 PRKCA (0.37) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1999506 0.85 PRKCG (0.51) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1990972 0.83 PRKCB (0.51) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1994823 0.82 PRKCA (0.43) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1991096 0.81 PRKCA (0.39) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1991764 0.81 CAMK2D (0.44) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1990947 0.81 PRKCH (0.46) PRKCBPRKCAPRKCEPRKCDPRKCH
SCHEMBL1996716 0.79 CAMK2D (0.39) PRKCBPRKCAPRKCEPRKCDPRKCH

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 PRKCB 3335/4885PRKCA 3438/4885PRKCE 3431/4885

“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.