SCHEMBL20162843

SCHEMBL20162843

COc1ncncc1-c1c[nH]c2nc(C)nc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.47
DYRK2 Q92630 6/20 0.47
DYRK1B Q9Y463 6/20 0.47
PIM1 P11309 5/20 0.47
CDK9 P50750 4/20 0.47
CLK1 P49759 3/20 0.37
TTK P33981 2/20 0.37
CYP17A1 P05093 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CCNT1 O60563 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 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
SCHEMBL20162994 0.84 LRRK2 (0.40) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162868 0.78 DYRK1A (0.46) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL30538077 0.76 RPS6KA5 (0.47) DYRK1ACDK9CYP17A1PIK3CACCNT1
SCHEMBL20163168 0.70 ROCK2 (0.45) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162834 0.69 MAPK1 (0.43) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162827 0.69 LRRK2 (0.39) DYRK1APIM1CDK9CYP17A1CCNT1
SCHEMBL20162824 0.69 LRRK2 (0.39) DYRK1APIM1CDK9CYP17A1CCNT1
SCHEMBL20173295 0.69 LRRK2 (0.39) DYRK1APIM1CDK9CYP17A1CCNT1
SCHEMBL20508806 0.69 DYRK1A (0.66) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL12472965 0.68 DYRK1A (0.41) DYRK1ADYRK2DYRK1BPIM1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION 2021-06-10 US disclosed
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS PFIZER INC. 2020-01-16 US disclosed
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 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 (5 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-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 DYRK1A 942/4885DYRK2 2061/4885DYRK1B 988/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DYRK1A 942/4885DYRK2 2061/4885DYRK1B 988/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 DYRK1A 942/4885DYRK2 2061/4885DYRK1B 988/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 DYRK1A 902/4885DYRK2 2035/4885DYRK1B 901/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DYRK1A 902/4885DYRK2 2035/4885DYRK1B 901/4885

“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.