SCHEMBL1994470

SCHEMBL1994470

O=C1NC(=O)C(c2cn(CC3CCNC(COC(F)(F)F)C3)c3ccccc23)=C1c1c[nH]c2sccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 14/20 0.45
PRKACG P22612 14/20 0.45
PRKACB P22694 14/20 0.45
CAMK2D Q13557 5/20 0.45
SIRT2 Q8IXJ6 2/20 0.39
CDK4 P11802 5/20 0.38
CCND1 P24385 5/20 0.38
CCNB2 O95067 3/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
CCNE2 O96020 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
MEN1 O00255 1/20 0.36
PRKD3 O94806 1/20 0.36
TP53 P04637 1/20 0.36
PRKCG P05129 1/20 0.36
CYP1A2 P05177 1/20 0.36
PRKCB P05771 1/20 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
SCHEMBL1990671 0.90 PRKACA (0.49) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1988541 0.89 PRKACA (0.46) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1993579 0.88 PRKACA (0.49) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1991673 0.86 CAMK2D (0.40) PRKACAPRKACGPRKACBCAMK2DPRKCG
SCHEMBL1992566 0.85 PRKACA (0.49) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1996158 0.79 PRKACA (0.51) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1997817 0.79 PRKACA (0.50) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1995619 0.78 PRKACA (0.62) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1997155 0.78 PRKACA (0.52) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1990219 0.77 PRKACA (0.55) PRKACAPRKACGPRKACBCAMK2DSIRT2

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 PRKACA 947/4885PRKACG 1317/4885PRKACB 1285/4885

“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.