SCHEMBL473319

SCHEMBL473319

CCN(CC)CCS(=O)(=O)N(c1ccc(Cl)cc1)C1CCN(c2ncnc3[nH]nc(Br)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
JAK3 P52333 1/20 0.37
KIT P10721 1/20 0.36
CHIT1 Q13231 3/20 0.36
CHIA Q9BZP6 3/20 0.36
KCNH2 Q12809 2/20 0.36
RPS6KB1 P23443 5/20 0.35
AKT1 P31749 4/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
JAK1 P23458 2/20 0.34
CHRM4 P08173 1/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 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
SCHEMBL10158899 0.89 JAK2 (0.37) JAK2JAK3KITCHIT1CHIA
SCHEMBL23532569 0.86 RPS6KB1 (0.48) JAK2JAK3RPS6KB1AKT1
SCHEMBL473317 0.85 CHRM4 (0.41) JAK2JAK3CHIT1CHIARPS6KB1
SCHEMBL473346 0.84 CHRM4 (0.44) JAK2JAK3CHIT1CHIAKCNH2
SCHEMBL473413 0.83 AKT1 (0.38) JAK2CHIT1CHIAKCNH2RPS6KB1
SCHEMBL15252736 0.80 CHIT1 (0.44) JAK2JAK3CHIT1CHIAKCNH2
SCHEMBL474182 0.79 AKT1 (0.37) JAK2JAK3KITCHIT1CHIA
SCHEMBL15252826 0.78 CHIT1 (0.43) JAK2JAK3CHIT1CHIAKCNH2
SCHEMBL473436 0.78 RPS6KB1 (0.37) JAK2JAK3KITCHIT1CHIA
SCHEMBL473365 0.77 RPS6KB1 (0.46) KCNH2RPS6KB1AKT1NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-03-02 US claimed
EP-4077329-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER Imperial College Innovations Limited (GB) 2022-10-26 EP claimed
WO-2021123798-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-06-24 WO claimed
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP claimed
US-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-03-02 US disclosed
US-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-03-02 US disclosed
EP-4077329-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER Imperial College Innovations Limited (GB) 2022-10-26 EP disclosed
WO-2021123798-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-06-24 WO disclosed
WO-2021123798-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-06-24 WO disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
CN-101959516-A Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2011-01-26 CN disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 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 (4 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-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER DPYD, ABCC1, TYMP JAK2 1932/4885JAK3 2189/4885KIT 2488/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K JAK2 778/4885JAK3 1063/4885KIT 280/4885
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 JAK2 261/4885JAK3 440/4885KIT 572/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K JAK2 876/4885JAK3 946/4885KIT 415/4885

“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.