SCHEMBL1991372

SCHEMBL1991372

O=C1NC(=O)C(c2c[nH]c3ccsc23)=C1c1cn(CC2CCN(CC(F)(F)F)CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 13/20 0.53
PRKACG P22612 13/20 0.53
PRKACB P22694 13/20 0.53
CAMK2D Q13557 7/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
PRKCG P05129 3/20 0.42
PRKCB P05771 3/20 0.42
PRKCA P17252 3/20 0.42
PRKCH P24723 3/20 0.42
PRKCE Q02156 3/20 0.42
PRKCZ Q05513 3/20 0.42
PRKCD Q05655 3/20 0.42
SRC P12931 2/20 0.42
CAMK2B Q13554 2/20 0.42
CAMK2G Q13555 2/20 0.42
CAMK2A Q9UQM7 2/20 0.42
CCNB2 O95067 3/20 0.41
CDK1 P06493 3/20 0.41

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
SCHEMBL1997192 0.90 PRKACA (0.56) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1993499 0.89 PRKACA (0.57) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1990789 0.89 PRKACA (0.53) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1996158 0.88 PRKACA (0.51) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1996178 0.87 CAMK2D (0.56) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1990909 0.86 PRKACA (0.57) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1990585 0.85 PRKACA (0.56) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1991560 0.85 CAMK2D (0.45) PRKACAPRKACGPRKACBCAMK2DPRKCG
SCHEMBL1996876 0.81 PRKACA (0.51) PRKACAPRKACGPRKACBCAMK2DSIRT2
SCHEMBL1991464 0.80 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.