SCHEMBL15219340

SCHEMBL15219340

Cn1cnnc1C(=O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.44
▸ HPGD P15428 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CBLB Q13191 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ HRH4 Q9H3N8 3/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11915923 0.81 HPGD (0.46) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL11919076 0.80 SIGMAR1 (0.41) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL15217748 0.80 SIGMAR1 (0.41) SIGMAR1HPGDRXFP1CBLBHSP90AA1
SCHEMBL14085105 0.74 SIGMAR1 (0.44) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL12147144 0.72 SIGMAR1 (0.41) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL24936221 0.70 HPGD (0.47) SIGMAR1HPGDRXFP1HSP90AA1HRH4
SCHEMBL20768744 0.68 SIGMAR1 (0.47) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL10850393 0.67 PLD1 (0.38) SIGMAR1HRH4ALDH1A1SMN1; SMN2
SCHEMBL11915954 0.66 HPGD (0.42) SIGMAR1HPGDRXFP1HSP90AA1MKNK1
SCHEMBL12145804 0.66 HPGD (0.39) SIGMAR1HPGDRXFP1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 — — EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 — — US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 — — US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 — — US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 — — US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 — — US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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 (7 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SIGMAR1 3464/4885HPGD 3328/4885RXFP1 3907/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SIGMAR1 3576/4885HPGD 3394/4885RXFP1 4379/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SIGMAR1 3899/4885HPGD 3242/4885RXFP1 4352/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 SIGMAR1 3181/4885HPGD 1908/4885RXFP1 4499/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 SIGMAR1 3057/4885HPGD 2859/4885RXFP1 4165/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SIGMAR1 3464/4885HPGD 3328/4885RXFP1 3907/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SIGMAR1 3464/4885HPGD 3328/4885RXFP1 3907/4885

“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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