SCHEMBL1996935

SCHEMBL1996935

O=C1NC(=O)C(c2nn(CC3CNCCO3)c3ccccc23)=C1c1c[nH]c2sccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.45
PRKCB P05771 14/20 0.38
PRKCA P17252 13/20 0.38
PRKCG P05129 12/20 0.38
GSK3B P49841 10/20 0.38
PRKCD Q05655 8/20 0.38
KISS1R Q969F8 1/20 0.37
KCNH2 Q12809 3/20 0.36
PRKCH P24723 6/20 0.36
PRKCZ Q05513 3/20 0.35
PRKCE Q02156 3/20 0.35
SRC P12931 2/20 0.35
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34

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
SCHEMBL1991825 0.88 CAMK2D (0.46) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1995323 0.86 CAMK2D (0.46) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1992233 0.84 PRKACA (0.47) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1990076 0.84 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1991104 0.83 CAMK2D (0.44) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1992654 0.83 CAMK2D (0.44) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1996421 0.82 CAMK2D (0.50) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1992218 0.79 CAMK2D (0.49) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1994915 0.79 PRKACA (0.55) CAMK2DPRKCBPRKCAPRKCGGSK3B
SCHEMBL1996320 0.78 CAMK2D (0.47) CAMK2DPRKCBPRKCAPRKCGGSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.