SCHEMBL1994516

SCHEMBL1994516

O=C1NC(=O)C(c2c[nH]c3ccsc23)=C1c1nn(CC2CCNCC2F)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.46
PRKCB P05771 11/20 0.37
PRKCA P17252 11/20 0.37
GSK3B P49841 8/20 0.37
PRKCG P05129 8/20 0.37
PRKCD Q05655 7/20 0.37
KISS1R Q969F8 1/20 0.36
PRKACA P17612 4/20 0.35
PRKCH P24723 4/20 0.35
PRKCE Q02156 4/20 0.35
PRKCQ Q04759 3/20 0.35
CDK7 P50613 2/20 0.35
CAMK2A Q9UQM7 2/20 0.35
PIM1 P11309 2/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL1991104 0.88 CAMK2D (0.44) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1992654 0.88 CAMK2D (0.44) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1993738 0.86 CAMK2D (0.46) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1992163 0.85 PRKACA (0.47) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1991825 0.83 CAMK2D (0.46) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1990902 0.80 CAMK2D (0.50) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1989747 0.80 CAMK2D (0.49) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1997364 0.79 CAMK2D (0.47) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1991560 0.79 CAMK2D (0.45) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1995074 0.79 CAMK2D (0.45) CAMK2DPRKCBPRKCAGSK3BPRKCG

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.