SCHEMBL11515014

SCHEMBL11515014

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.61
HSP90AA1 P07900 3/20 0.58
HSP90AB1 P08238 3/20 0.58
HPGD P15428 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
EPHX2 P34913 1/20 0.50
HDAC1 Q13547 1/20 0.50
TSHR P16473 1/20 0.49
ESRRG P62508 1/20 0.49

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
SCHEMBL13227108 0.88 ESRRG (0.50) MLYCDHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL5703500 0.85 HPGD (0.73) MLYCDHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL7281175 0.83 MLYCD (0.69) MLYCDHPGDALDH1A1MAPTLMNA
SCHEMBL7280834 0.83 MLYCD (0.59) MLYCDHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL4406602 0.83 ESRRG (0.59) HSP90AA1HSP90AB1ALDH1A1MAPTLMNA
SCHEMBL17886720 0.83 USP2 (0.56) MLYCDHPGDALDH1A1MAPTLMNA
SCHEMBL12443251 0.82 EGFR (0.57) MLYCDHPGDALDH1A1MAPTLMNA
SCHEMBL9635929 0.82 HPGD (0.55) MLYCDHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL25217285 0.81 NR1H4 (0.48) HSP90AA1HSP90AB1ALDH1A1MAPTLMNA
SCHEMBL6284193 0.81 ESRRG (0.50) MLYCDALDH1A1MAPTLMNARECQL

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118479977-A Method for preparing amide from tertiary amine 云南民族大学 2024-08-13 CN disclosed
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2021-08-03 US disclosed
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2020-03-19 US disclosed
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-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
US-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-29 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-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 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
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-4171975-A MAGENTA COUPLER AND AN AMIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-10-23 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 (13 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-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, TYK2, LCK MLYCD 3897/4885HSP90AA1 3788/4885HSP90AB1 3191/4885
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGES MLYCD 4532/4885HSP90AA1 1778/4885HSP90AB1 2115/4885
US-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, TYK2, IFNAR1 MLYCD 4086/4885HSP90AA1 3345/4885HSP90AB1 3594/4885
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 MLYCD 4025/4885HSP90AA1 2666/4885HSP90AB1 2079/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 MLYCD 4184/4885HSP90AA1 2113/4885HSP90AB1 1471/4885
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 MLYCD 3554/4885HSP90AA1 3463/4885HSP90AB1 2892/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 MLYCD 4132/4885HSP90AA1 2636/4885HSP90AB1 2018/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 MLYCD 4191/4885HSP90AA1 2521/4885HSP90AB1 2051/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 MLYCD 4095/4885HSP90AA1 2071/4885HSP90AB1 1425/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 MLYCD 4025/4885HSP90AA1 2666/4885HSP90AB1 2079/4885
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 MLYCD 4044/4885HSP90AA1 1602/4885HSP90AB1 2090/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 MLYCD 4025/4885HSP90AA1 2666/4885HSP90AB1 2079/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 MLYCD 2021/4885HSP90AA1 2240/4885HSP90AB1 1614/4885

“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.