SCHEMBL20533429

SCHEMBL20533429

CC1(O)CCC(n2nc(-c3ccc(Br)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.58
▸ KDR P35968 14/20 0.58
▸ SRC P12931 14/20 0.58
▸ PIK3CD O00329 13/20 0.58
▸ PIK3CA P42336 13/20 0.58
▸ PIK3CB P42338 13/20 0.58
▸ PIK3CG P48736 13/20 0.58
▸ PRKDC P78527 13/20 0.58
▸ ABL1 P00519 12/20 0.58
▸ HCK P08631 12/20 0.58
▸ MTOR P42345 12/20 0.58
▸ EPHB4 P54760 12/20 0.58
▸ PI4KB Q9UBF8 7/20 0.57
▸ RET P07949 1/20 0.53
▸ BTK Q06187 3/20 0.53
▸ LCK P06239 3/20 0.53
▸ LYN P07948 1/20 0.53
▸ NUDT14 O95848 1/20 0.52
▸ NUDT5 Q9UKK9 1/20 0.52
▸ TEK Q02763 2/20 0.52

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
SCHEMBL15613465 0.85 PIK3CD (0.72) EGFRKDRSRCPIK3CDPIK3CA
SCHEMBL29441895 0.85 BTK (0.76) EGFRKDRSRCABL1HCK
SCHEMBL22243245 0.85 BTK (0.76) EGFRKDRSRCABL1HCK
SCHEMBL24041260 0.85 BTK (0.76) EGFRKDRSRCABL1HCK
SCHEMBL22243246 0.85 BTK (0.76) EGFRKDRSRCABL1HCK
SCHEMBL22243264 0.84 BTK (0.63) EGFRKDRSRCPIK3CDPIK3CA
SCHEMBL22230580 0.84 BTK (0.63) EGFRKDRSRCPIK3CDPIK3CA
SCHEMBL22243263 0.84 BTK (0.63) EGFRKDRSRCPIK3CDPIK3CA
SCHEMBL15613506 0.82 PIK3CD (0.59) EGFRKDRSRCPIK3CDPIK3CA
SCHEMBL22243326 0.79 BTK (0.71) EGFRKDRSRCABL1HCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 — — EP disclosed
EP-3350184-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER LOXO ONCOLOGY INC (US) 2022-10-19 — — EP disclosed
CN-114685516-A Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-07-01 — — CN disclosed
CN-108431007-B Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-06-07 — — CN disclosed
US-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY INC. (US) 2020-04-07 — — US disclosed
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY, INC. (US) 2019-09-03 — — US disclosed
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY, INC. (US) 2019-09-03 — — US disclosed
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC. (GB) 2018-12-20 — — US disclosed
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC (GB) 2018-12-20 — — US disclosed
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC (GB) 2018-10-18 — — 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 (6 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-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK EGFR 740/4885KDR 1370/4885SRC 20/4885
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK EGFR 740/4885KDR 1370/4885SRC 20/4885
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK EGFR 740/4885KDR 1370/4885SRC 20/4885
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK EGFR 740/4885KDR 1370/4885SRC 20/4885
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK EGFR 740/4885KDR 1370/4885SRC 20/4885
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK EGFR 740/4885KDR 1370/4885SRC 20/4885

“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.

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