SCHEMBL1996320

SCHEMBL1996320

O=C1NC(=O)C(c2nn(CC3(F)CCNCC3)c3ccccc23)=C1c1c[nH]c2sccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.47
PRKCB P05771 14/20 0.41
PRKCA P17252 14/20 0.41
GSK3B P49841 14/20 0.41
PRKCG P05129 12/20 0.41
PRKCD Q05655 8/20 0.41
KISS1R Q969F8 1/20 0.39
PRKCH P24723 3/20 0.38
PRKCE Q02156 3/20 0.38
PRKCQ Q04759 3/20 0.38
PRKACA P17612 2/20 0.38
CDK7 P50613 2/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
PIM1 P11309 2/20 0.38
MARK3 P27448 2/20 0.38
LTK P29376 2/20 0.38
GRK5 P34947 2/20 0.38
KDR P35968 2/20 0.38
GSK3A P49840 2/20 0.38

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
SCHEMBL1993081 0.90 CAMK2D (0.48) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1989747 0.87 CAMK2D (0.49) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1990076 0.83 CAMK2D (0.48) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1995640 0.83 PRKACA (0.49) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1991136 0.82 CAMK2D (0.49) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1991139 0.80 CAMK2D (0.40) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1992654 0.79 CAMK2D (0.44) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1991104 0.79 CAMK2D (0.44) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1994823 0.79 PRKCA (0.43) CAMK2DPRKCBPRKCAGSK3BPRKCG
SCHEMBL1990750 0.79 PRKCA (0.58) CAMK2DPRKCBPRKCAGSK3BPRKCG

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.