SCHEMBL15217748

SCHEMBL15217748

CC(C)n1cnnc1C(=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ HPGD P15428 1/20 0.38
▸ CBLB Q13191 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ HRH4 Q9H3N8 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 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
SCHEMBL15219340 0.80 SIGMAR1 (0.44) SIGMAR1HPGDCBLBRXFP1HSP90AA1
SCHEMBL11915923 0.78 HPGD (0.46) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL11919076 0.77 SIGMAR1 (0.41) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL12145804 0.72 HPGD (0.39) SIGMAR1HPGDRXFP1MKNK1MKNK2
SCHEMBL22849946 0.67 SIGMAR1 (0.40) SIGMAR1HPGDRXFP1HSP90AA1HRH4
SCHEMBL12147144 0.66 SIGMAR1 (0.41) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL14085105 0.65 SIGMAR1 (0.44) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL19105545 0.64 SIGMAR1 (0.42) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL11919078 0.63 SIGMAR1 (0.38) SIGMAR1HPGDRXFP1MKNK1MKNK2
SCHEMBL11915954 0.63 HPGD (0.42) SIGMAR1HPGDRXFP1HSP90AA1MKNK1

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
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 — — US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 — — US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — 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 (5 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SIGMAR1 3576/4885HPGD 3394/4885CBLB 3319/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SIGMAR1 3899/4885HPGD 3242/4885CBLB 2937/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 SIGMAR1 3899/4885HPGD 3242/4885CBLB 2937/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SIGMAR1 3464/4885HPGD 3328/4885CBLB 3697/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SIGMAR1 3464/4885HPGD 3328/4885CBLB 3697/4885

“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.

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