SCHEMBL1996716

SCHEMBL1996716

O=C1NC(=O)C(c2nn(C3CCN(CC(F)(F)F)CC3)c3ccccc23)=C1c1c[nH]c2sccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 10/20 0.39
PRKCB P05771 11/20 0.38
PRKCA P17252 11/20 0.38
PRKCG P05129 10/20 0.38
PRKCE Q02156 9/20 0.38
PRKCD Q05655 9/20 0.38
PRKCH P24723 8/20 0.38
CAMK2B Q13554 6/20 0.38
CAMK2G Q13555 6/20 0.38
CAMK2A Q9UQM7 6/20 0.38
PRKCZ Q05513 5/20 0.38
SRC P12931 3/20 0.38
GSK3B P49841 6/20 0.34
JAK3 P52333 3/20 0.34
PIM1 P11309 3/20 0.34
PRKCQ Q04759 3/20 0.34
PRKACA P17612 3/20 0.34
PRKACB P22694 3/20 0.34
PDGFRB P09619 2/20 0.34
RPS6KB1 P23443 2/20 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
SCHEMBL1989963 0.91 PRKCB (0.38) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1991764 0.90 CAMK2D (0.44) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL2001228 0.89 PRKCB (0.37) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1993324 0.89 CAMK2D (0.39) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1995704 0.88 CAMK2D (0.41) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1997092 0.87 CAMK2D (0.44) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1990972 0.87 PRKCB (0.51) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1999066 0.86 PRKCG (0.43) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1997672 0.86 PRKACA (0.43) CAMK2DPRKCBPRKCAPRKCGPRKCE
SCHEMBL1994823 0.85 PRKCA (0.43) CAMK2DPRKCBPRKCAPRKCGPRKCE

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 CAMK2D 2963/4885PRKCB 3335/4885PRKCA 3438/4885

“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.