SCHEMBL20533262

SCHEMBL20533262

COC1CCC(n2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.70
▸ KDR P35968 8/20 0.70
▸ JAK2 O60674 2/20 0.70
▸ RET P07949 2/20 0.70
▸ DYRK3 O43781 2/20 0.70
▸ CDK1 P06493 2/20 0.70
▸ ROS1 P08922 2/20 0.70
▸ RPS6KB1 P23443 2/20 0.70
▸ CDK2 P24941 2/20 0.70
▸ CSNK1A1 P48729 2/20 0.70
▸ CSNK1D P48730 2/20 0.70
▸ CLK2 P49760 2/20 0.70
▸ IRAK1 P51617 2/20 0.70
▸ CDK5 Q00535 2/20 0.70
▸ DYRK1A Q13627 2/20 0.70
▸ NTRK3 Q16288 2/20 0.70
▸ SLK Q9H2G2 2/20 0.70
▸ CLK4 Q9HAZ1 2/20 0.70
▸ CDC7 O00311 1/20 0.70
▸ PLK4 O00444 1/20 0.70

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
SCHEMBL24096480 0.89 JAK2 (0.86) SRCKDRJAK2RETDYRK3
SCHEMBL6107749 0.86 AURKB (0.62) SRCKDRJAK2RETDYRK3
SCHEMBL2960409 0.86 AURKB (0.62) SRCKDRJAK2RETDYRK3
SCHEMBL2960411 0.86 AURKB (0.62) SRCKDRJAK2RETDYRK3
SCHEMBL18539078 0.85 SRC (0.76) SRCKDRJAK2RETDYRK3
SCHEMBL6110209 0.84 SRC (0.67) SRCKDRJAK2RETDYRK3
SCHEMBL3817960 0.84 SRC (0.67) SRCKDRJAK2RETDYRK3
SCHEMBL17911543 0.84 KDR (0.78) SRCKDRJAK2RETDYRK3
SCHEMBL4826075 0.84 KDR (0.78) SRCKDRJAK2RETDYRK3
SCHEMBL4826083 0.84 KDR (0.78) SRCKDRJAK2RETDYRK3

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 SRC 20/4885KDR 1370/4885JAK2 12/4885
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK SRC 20/4885KDR 1370/4885JAK2 12/4885
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK SRC 20/4885KDR 1370/4885JAK2 12/4885
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK SRC 20/4885KDR 1370/4885JAK2 12/4885
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK SRC 20/4885KDR 1370/4885JAK2 12/4885
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK SRC 20/4885KDR 1370/4885JAK2 12/4885

“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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