SCHEMBL1996279

SCHEMBL1996279

CN1CCC(F)(Cn2nc(C3=C(c4c[nH]c5ccsc45)C(=O)NC3=O)c3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.49
PRKCA P17252 16/20 0.43
PRKCB P05771 16/20 0.43
PRKCD Q05655 15/20 0.43
GSK3B P49841 6/20 0.43
PRKCG P05129 4/20 0.43
KCNH2 Q12809 1/20 0.43
PRKCH P24723 14/20 0.43
PRKCQ Q04759 13/20 0.43
PRKCE Q02156 12/20 0.43
PRKCZ Q05513 2/20 0.43
CAMK2B Q13554 2/20 0.43
CAMK2G Q13555 2/20 0.43
CAMK2A Q9UQM7 2/20 0.43
PDPK1 O15530 1/20 0.43
DYRK3 O43781 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL1989747 0.90 CAMK2D (0.49) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1993081 0.88 CAMK2D (0.48) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1994962 0.84 PRKACA (0.49) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1991967 0.83 CAMK2D (0.46) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1994250 0.81 GSK3B (0.57) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1993213 0.81 PRKACA (0.56) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1993738 0.80 CAMK2D (0.46) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1993520 0.80 PRKCA (0.64) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1990920 0.79 CAMK2D (0.47) CAMK2DPRKCAPRKCBPRKCDGSK3B
SCHEMBL1991879 0.79 PRKCA (0.42) CAMK2DPRKCAPRKCBPRKCDGSK3B

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 2963/4885PRKCA 3438/4885PRKCB 3335/4885

“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.