SCHEMBL4729656

SCHEMBL4729656

CC1C(N)CCCN1S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 5/20 0.60
PRKCG P05129 5/20 0.60
PRKCB P05771 5/20 0.60
PRKCA P17252 5/20 0.60
PRKCH P24723 5/20 0.60
PRKCI P41743 5/20 0.60
PRKCE Q02156 5/20 0.60
PRKCQ Q04759 5/20 0.60
PRKCZ Q05513 5/20 0.60
PRKCD Q05655 5/20 0.60
PRKD1 Q15139 5/20 0.60
PRKACA P17612 4/20 0.60
PRKACG P22612 4/20 0.60
PRKACB P22694 4/20 0.60
CYP3A4 P08684 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP2D6 P10635 3/20 0.60
NFKB1 P19838 2/20 0.60
CYP2C19 P33261 2/20 0.60
MEN1 O00255 2/20 0.60

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
SCHEMBL7318883 0.89 PRKD3 (0.60) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL29968321 0.84 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL21545920 0.84 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2455144 0.82 PRKCD (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7318744 0.81 ROCK2 (0.53) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL16712961 0.80 CYP3A4 (0.54) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL9016173 0.79 PRKD3 (0.73) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4727206 0.79 ROCK2 (0.66) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4727733 0.78 PRKD3 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4728844 0.78 ROCK2 (0.62) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN PRKD3 3105/4885PRKCG 801/4885PRKCB 1377/4885

“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.