SCHEMBL11295339

SCHEMBL11295339

Nc1c(F)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 4/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TAAR1 Q96RJ0 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MET P08581 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31
PNMT P11086 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL2777071 0.83 TNF (0.38) TSHRTP53CYP3A4CA1CA2
SCHEMBL18341100 0.81 TSHR (0.40) TSHRTP53CYP3A4MAPK1CA1
SCHEMBL30695915 0.79 TSHR (0.39) TSHRTP53CYP3A4CA1CA2
SCHEMBL21479006 0.79 TSHR (0.39) TSHRTP53CYP3A4CA1CA2
SCHEMBL1468369 0.79 TSHR (0.39) TSHRTP53CYP3A4CA1CA2
SCHEMBL38652501 0.79 ALDH1A1 (0.40) TSHRTP53CYP3A4MAPK1CA1
SCHEMBL31167425 0.77 TSHR (0.41) TSHRTP53CYP3A4MAPK1CA1
SCHEMBL9365624 0.77 TSHR (0.41) TSHRTP53CYP3A4MAPK1CA1
SCHEMBL101941 0.75 CA1 (0.38) TSHRTP53CYP3A4MAPK1CA1
SCHEMBL20595059 0.75 PTGER4 (0.41) CA1CA2CA9HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119486466-A Passivation layer, perovskite solar cell, preparation method of perovskite solar cell, laminated cell and photovoltaic module 天合光能股份有限公司 2025-02-18 CN disclosed
CN-113646049-B Pyrimidinone derivatives as SHP2 antagonists 默克专利有限公司 2024-08-13 CN disclosed
EP-3822274-B1 SYNTHETIC INTERMEDIATES USEFUL FOR PREPARING SUBSTITUTED AMINOPURINE COMPOUNDS SIGNAL PHARM LLC (US) 2024-03-06 EP disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2023-02-28 US disclosed
CN-113646049-A Pyrimidone derivatives as SHP2 antagonists 默克专利有限公司 2021-11-12 CN disclosed
CN-113248506-A Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2021-08-13 CN disclosed
EP-3822274-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2021-05-19 EP disclosed
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-05-06 US disclosed
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 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
EP-3204386-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2017-08-16 EP 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
WO-2016057370-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2016-04-14 WO disclosed
US-20160096841-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2016-04-07 US disclosed
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO 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-20170042902-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP TSHR 3413/4885TP53 28/4885CYP3A4 1895/4885
US-20160096841-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP TSHR 3413/4885TP53 28/4885CYP3A4 1895/4885
US-20170296546-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP TSHR 3413/4885TP53 28/4885CYP3A4 1895/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP TSHR 3413/4885TP53 28/4885CYP3A4 1895/4885
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 TSHR 3258/4885TP53 254/4885CYP3A4 1376/4885
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP TSHR 3413/4885TP53 28/4885CYP3A4 1895/4885
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP TSHR 3413/4885TP53 28/4885CYP3A4 1895/4885

“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.