SCHEMBL17662985

SCHEMBL17662985

NC(=O)[C@H]1CC[C@@H](n2c(Nc3cccc(Cl)c3)nc3cnc(NC4CCOCC4)nc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 18/20 0.49
MAPK9 P45984 17/20 0.49
MAPK10 P53779 17/20 0.49
MAPK14 Q16539 15/20 0.49
EGFR P00533 2/20 0.45
MAPK1 P28482 2/20 0.45
GAK O14976 1/20 0.45
ERN1 O75460 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
MYLK Q15746 1/20 0.45
SIK3 Q9Y2K2 1/20 0.45

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
SCHEMBL17649074 1.00 MAPK8 (0.49) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL17649073 1.00 MAPK8 (0.49) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL29706839 1.00 MAPK8 (0.49) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL17663114 0.93 MAPK9 (0.53) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL17650287 0.93 MAPK9 (0.53) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL30263871 0.93 MAPK9 (0.53) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL17650289 0.93 MAPK9 (0.53) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL17650180 0.90 MAPK8 (0.50) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL17650179 0.90 MAPK8 (0.50) MAPK8MAPK9MAPK10MAPK14EGFR
SCHEMBL29706818 0.90 MAPK8 (0.50) MAPK8MAPK9MAPK10MAPK14EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069512-B Substituted aminopurine compounds, compositions thereof, and related methods of treatment 西格诺药品有限公司 2022-06-14 CN claimed
CN-107001372-B Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2021-04-27 CN claimed
EP-3204386-B1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-03-03 EP claimed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-05-06 US disclosed
US-10940152-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-03-09 US disclosed
US-20200237768-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-07-30 US disclosed
US-10646493-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2020-05-12 US disclosed
US-10398700-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2019-09-03 US disclosed
US-20190091230-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2019-03-28 US disclosed
US-20170296546-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-10-19 US disclosed
US-20170296546-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-10-19 US disclosed
US-9737541-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-22 US disclosed
US-9737541-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-22 US disclosed
US-20170042902-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-02-16 US disclosed
US-20170042902-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-02-16 US disclosed
US-9512124-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-12-06 US disclosed
US-20160096841-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2016-04-07 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 (10 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-20170042902-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-20190091230-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-20160096841-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-20200237768-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-10940152-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-20170296546-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-10646493-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885
US-10398700-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP MAPK8 1613/4885MAPK9 2359/4885MAPK10 3894/4885

“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.