SCHEMBL20533043

SCHEMBL20533043

Nc1ncnc2c1c(-c1ccc(Br)cc1)nn2CC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ BTK Q06187 3/20 0.54
▸ RET P07949 2/20 0.52
▸ KDR P35968 2/20 0.52
▸ FYN P06241 7/20 0.48
▸ PIK3CD O00329 3/20 0.48
▸ PRKDC P78527 3/20 0.48
▸ PIK3CA P42336 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL29781037 0.90 CYP1A2 (0.64) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL29780853 0.80 RET (0.47) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL23997157 0.77 CYP1A2 (0.83) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL16886112 0.76 PIK3CD (0.68) CYP1A2KDM4EBTKRETKDR
SCHEMBL15613596 0.75 SRC (0.65) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL24096881 0.75 CYP1A2 (0.68) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL13019782 0.75 CYP1A2 (1.00) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL23997251 0.74 CYP1A2 (0.69) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL29781045 0.73 BTK (0.57) CYP1A2MAPK1KDM4ETP53CYP3A4
SCHEMBL24096616 0.72 PRKD3 (0.58) CYP1A2MAPK1KDM4ETP53CYP3A4

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-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY, INC. (US) 2019-09-03 — — 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-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 CYP1A2 3099/4885MAPK1 735/4885KDM4E 663/4885
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK CYP1A2 3099/4885MAPK1 735/4885KDM4E 663/4885
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK CYP1A2 3099/4885MAPK1 735/4885KDM4E 663/4885
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK CYP1A2 3099/4885MAPK1 735/4885KDM4E 663/4885
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK CYP1A2 3099/4885MAPK1 735/4885KDM4E 663/4885
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK CYP1A2 3099/4885MAPK1 735/4885KDM4E 663/4885

“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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