SCHEMBL12145804

SCHEMBL12145804

CC(C)n1nnnc1C(=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TNKS O95271 1/20 0.35
▸ CCNC P24863 4/20 0.35
▸ CDK8 P49336 4/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL12147144 0.80 SIGMAR1 (0.41) HPGDSIGMAR1MKNK1MKNK2ALDH1A1
SCHEMBL11919078 0.76 SIGMAR1 (0.38) HPGDSIGMAR1MKNK1MKNK2ALDH1A1
SCHEMBL11915954 0.76 HPGD (0.42) HPGDSIGMAR1MKNK1MKNK2ALDH1A1
SCHEMBL15217748 0.72 SIGMAR1 (0.41) HPGDSIGMAR1MKNK1MKNK2RXFP1
SCHEMBL24768587 0.66 TDP1 (0.35) HPGDALDH1A1MEN1KMT2A
SCHEMBL24768588 0.66 ALDH1A1 (0.35) HPGDALDH1A1MEN1KMT2A
SCHEMBL9963099 0.66 ALDH1A1 (0.68) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL15219340 0.66 SIGMAR1 (0.44) HPGDSIGMAR1MKNK1MKNK2ALDH1A1
SCHEMBL11915923 0.64 HPGD (0.46) HPGDSIGMAR1MKNK1MKNK2RXFP1
SCHEMBL23990683 0.64 MAPK1 (0.41) HPGDALDH1A1

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 10 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-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-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-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — 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 HPGD 3328/4885SIGMAR1 3464/4885MKNK1 175/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HPGD 3394/4885SIGMAR1 3576/4885MKNK1 81/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HPGD 3242/4885SIGMAR1 3899/4885MKNK1 74/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 HPGD 3242/4885SIGMAR1 3899/4885MKNK1 74/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HPGD 3328/4885SIGMAR1 3464/4885MKNK1 175/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HPGD 3328/4885SIGMAR1 3464/4885MKNK1 175/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 HPGD 1908/4885SIGMAR1 3181/4885MKNK1 63/4885

“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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