SCHEMBL1994504

SCHEMBL1994504

CN1CCC(F)(Cn2cc(C3=C(c4c[nH]c5sccc45)C(=O)NC3=O)c3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 7/20 0.48
PRKCA P17252 6/20 0.48
GSK3B P49841 5/20 0.48
PRKCG P05129 4/20 0.48
PRKCE Q02156 4/20 0.48
PRKCD Q05655 3/20 0.48
PRKACA P17612 11/20 0.48
PRKACG P22612 11/20 0.48
PRKACB P22694 11/20 0.48
CAMK2D Q13557 4/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
PRKCH P24723 2/20 0.46
PRKCZ Q05513 2/20 0.46
CCNE2 O96020 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
SRC P12931 1/20 0.46
CAMK2B Q13554 1/20 0.46

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
SCHEMBL1995640 0.89 PRKACA (0.49) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1994962 0.87 PRKACA (0.49) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1993081 0.84 CAMK2D (0.48) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1995619 0.83 PRKACA (0.62) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1995754 0.82 PRKACA (0.53) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1994400 0.80 PRKACA (0.65) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1989901 0.79 PRKACA (0.57) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1989905 0.78 PRKACA (0.55) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1990219 0.78 PRKACA (0.55) PRKCBPRKCAGSK3BPRKCGPRKCE
SCHEMBL1993402 0.78 PRKCB (0.55) PRKCBPRKCAGSK3BPRKCGPRKCE

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 PRKCB 3335/4885PRKCA 3438/4885GSK3B 2908/4885

“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.