SCHEMBL20533626

SCHEMBL20533626

CC(O)Cn1nc(I)c2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ FYN P06241 5/20 0.48
▸ DYRK3 O43781 3/20 0.48
▸ RPS6KB1 P23443 3/20 0.48
▸ CSNK1A1 P48729 3/20 0.48
▸ CSNK1D P48730 3/20 0.48
▸ CLK2 P49760 3/20 0.48
▸ IRAK1 P51617 3/20 0.48
▸ DYRK1A Q13627 3/20 0.48
▸ SLK Q9H2G2 3/20 0.48
▸ CLK4 Q9HAZ1 3/20 0.48
▸ SRC P12931 3/20 0.48
▸ KDR P35968 3/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ ROS1 P08922 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CDK5 Q00535 2/20 0.48
▸ NTRK3 Q16288 2/20 0.48
▸ PRKD3 O94806 2/20 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
SCHEMBL17962785 0.88 FYN (0.49) ADORA2AADORA1FYNDYRK3RPS6KB1
SCHEMBL19500707 0.86 SRC (0.56) FYNDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL19500708 0.86 SRC (0.56) FYNDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL18250072 0.82 PIK3CG (0.53) FYNDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL17714345 0.81 FYN (0.72) FYNDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL868744 0.80 PIK3CD (0.51) ADORA2AADORA1FYNDYRK3RPS6KB1
SCHEMBL18250077 0.80 MTOR (0.54) FYNDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL30877161 0.80 MTOR (0.54) FYNDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL868521 0.78 DYRK3 (0.51) ADORA2AADORA1FYNDYRK3RPS6KB1
SCHEMBL4572201 0.78 RET (0.48) ADORA2AADORA1FYNDYRK3RPS6KB1

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 ADORA2A 4466/4885ADORA1 4550/4885FYN 13/4885
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK ADORA2A 4466/4885ADORA1 4550/4885FYN 13/4885
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK ADORA2A 4466/4885ADORA1 4550/4885FYN 13/4885
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK ADORA2A 4466/4885ADORA1 4550/4885FYN 13/4885
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK ADORA2A 4466/4885ADORA1 4550/4885FYN 13/4885
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK ADORA2A 4466/4885ADORA1 4550/4885FYN 13/4885

“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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