SCHEMBL20533284

SCHEMBL20533284

Nc1ncnc2c(C3CCCC3)nn(-c3ccc(Br)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
BTK Q06187 11/20 0.36
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
ADORA2B P29275 2/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CSF1R P07333 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 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
SCHEMBL21159362 0.74 EGFR (0.42) EGFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL19917018 0.74 EGFR (0.42) EGFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL3123123 0.74 EGFR (0.47) EGFRBTK
SCHEMBL21044835 0.72 BTK (0.73) EGFRBTK
SCHEMBL25167238 0.71 BTK (0.52) BTK
SCHEMBL28953975 0.70 BTK (0.65) BTK
SCHEMBL18641860 0.70 KDM1A (0.37) NPC1LMNATP53PKMRAB9A
SCHEMBL16655865 0.70 EGFR (0.44) EGFRBTKCSF1R
SCHEMBL22710619 0.70 BTK (0.64) BTK
SCHEMBL25168465 0.69 BTK (0.41) BTK

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 EGFR 740/4885BTK 1/4885ADORA3 4122/4885
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK EGFR 740/4885BTK 1/4885ADORA3 4122/4885
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK EGFR 740/4885BTK 1/4885ADORA3 4122/4885
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK EGFR 740/4885BTK 1/4885ADORA3 4122/4885
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK EGFR 740/4885BTK 1/4885ADORA3 4122/4885
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK EGFR 740/4885BTK 1/4885ADORA3 4122/4885

“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.