SCHEMBL11915954

SCHEMBL11915954

CC(C)(C)n1nnnc1C(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ TNKS O95271 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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) HPGDSIGMAR1MKNK1MKNK2RXFP1
SCHEMBL11919078 0.76 SIGMAR1 (0.38) HPGDSIGMAR1MKNK1MKNK2RXFP1
SCHEMBL12145804 0.76 HPGD (0.39) HPGDSIGMAR1MKNK1MKNK2RXFP1
SCHEMBL11915923 0.73 HPGD (0.46) HPGDSIGMAR1MKNK1MKNK2RXFP1
SCHEMBL15221306 0.69 ALDH1A1 (0.38) KDM4EALDH1A1NPSR1KMT2ATSHR
SCHEMBL20769133 0.69 HPGD (0.44) HPGDSIGMAR1RXFP1HRH4HRH3
SCHEMBL21341506 0.67 HDAC1 (0.36) HPGDALDH1A1NPSR1KMT2ATSHR
SCHEMBL16302786 0.66 ALDH1A1 (0.69) SIGMAR1ALDH1A1NPSR1KMT2A
SCHEMBL15219340 0.66 SIGMAR1 (0.44) HPGDSIGMAR1MKNK1MKNK2RXFP1
SCHEMBL24936221 0.65 HPGD (0.47) HPGDSIGMAR1RXFP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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 (3 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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 HPGD 1908/4885SIGMAR1 3181/4885MKNK1 63/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 HPGD 3340/4885SIGMAR1 3112/4885MKNK1 205/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HPGD 3394/4885SIGMAR1 3576/4885MKNK1 81/4885

“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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