SCHEMBL11916166

SCHEMBL11916166

CC(C)(C)c1ccc(N2CCNCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HPGD P15428 1/20 0.44
MAPKAPK2 P49137 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 2/20 0.39
DGAT1 O75907 1/20 0.38
TP53 P04637 1/20 0.38
MAP4K1 Q92918 1/20 0.37
HSD11B1 P28845 3/20 0.37
HTR1A P08908 1/20 0.36
HTR3A P46098 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
WEE1 P30291 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
SCHEMBL8195822 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAPKAPK2HSD11B1
SCHEMBL17916111 0.82 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3KMT2ATP53
SCHEMBL8286227 0.81 ADRB1 (0.52) SLC6A2SLC6A4SLC6A3MAPKAPK2DRD2
SCHEMBL4396319 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
SCHEMBL3656969 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2DRD2
SCHEMBL85663 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2KMT2A
SCHEMBL15077177 0.78 DGAT1 (0.43) HPGDDRD2DRD3KCNH2KMT2A
SCHEMBL3667484 0.78 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
Hydrochloric Acid SCHEMBL1583516 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAPKAPK2DRD2
SCHEMBL1584076 0.78 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 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-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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 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 (11 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 SLC6A2 3698/4885SLC6A4 3147/4885SLC6A3 2940/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SLC6A2 3966/4885SLC6A4 3754/4885SLC6A3 3692/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SLC6A2 4089/4885SLC6A4 3814/4885SLC6A3 3688/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 SLC6A2 4429/4885SLC6A4 4393/4885SLC6A3 4166/4885
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 SLC6A2 4874/4885SLC6A4 4882/4885SLC6A3 4858/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 SLC6A2 3682/4885SLC6A4 3163/4885SLC6A3 3008/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 SLC6A2 4089/4885SLC6A4 3814/4885SLC6A3 3688/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SLC6A2 3698/4885SLC6A4 3147/4885SLC6A3 2940/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SLC6A2 3698/4885SLC6A4 3147/4885SLC6A3 2940/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SLC6A2 3966/4885SLC6A4 3754/4885SLC6A3 3692/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 SLC6A2 4429/4885SLC6A4 4393/4885SLC6A3 4166/4885

“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.