SCHEMBL1993512

SCHEMBL1993512

O=C1NC(=O)C(c2c[nH]c3ccsc23)=C1c1nn(CC2CCNC(CO)C2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.44
PRKACA P17612 4/20 0.38
PRKACG P22612 3/20 0.38
PRKACB P22694 3/20 0.38
PRKCB P05771 10/20 0.36
PRKCA P17252 9/20 0.36
GSK3B P49841 9/20 0.36
PRKCG P05129 8/20 0.36
PRKCD Q05655 6/20 0.36
PRKD3 O94806 3/20 0.36
PIM1 P11309 3/20 0.36
PRKCH P24723 3/20 0.36
PRKCE Q02156 3/20 0.36
MAP4K4 O95819 2/20 0.36
MARK3 P27448 2/20 0.36
LTK P29376 2/20 0.36
GRK5 P34947 2/20 0.36
KDR P35968 2/20 0.36
GSK3A P49840 2/20 0.36
RPS6KA3 P51812 2/20 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
SCHEMBL1992044 0.90 CAMK2D (0.43) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL2016689 0.89 CAMK2D (0.43) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1991666 0.89 CAMK2D (0.41) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1994239 0.85 PRKACA (0.50) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1993962 0.85 CAMK2D (0.45) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1997364 0.81 CAMK2D (0.47) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1993213 0.81 PRKACA (0.56) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1995881 0.81 CAMK2D (0.46) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1990902 0.81 CAMK2D (0.50) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1992015 0.79 CAMK2D (0.44) CAMK2DPRKACAPRKACGPRKACBPRKCB

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 2963/4885PRKACA 947/4885PRKACG 1317/4885

“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.