SCHEMBL20162868

SCHEMBL20162868

Cc1nc(N)c2c(-c3cncnc3)c[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.46
DYRK2 Q92630 7/20 0.43
DYRK1B Q9Y463 7/20 0.43
PIM1 P11309 5/20 0.43
CDK9 P50750 1/20 0.43
ROCK1 Q13464 5/20 0.43
CDC42BPB Q9Y5S2 5/20 0.43
ROCK2 O75116 4/20 0.43
MAPK1 P28482 2/20 0.40
CLK1 P49759 2/20 0.39
TTK P33981 1/20 0.39
CDC42BPA Q5VT25 1/20 0.37

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
SCHEMBL20508806 0.83 DYRK1A (0.66) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20163168 0.82 ROCK2 (0.45) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162834 0.81 MAPK1 (0.43) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162986 0.79 DYRK1A (0.49) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162843 0.78 DYRK1A (0.47) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162869 0.77 ROCK2 (0.39) DYRK1AROCK1CDC42BPBROCK2MAPK1
SCHEMBL20508774 0.76 DYRK1A (0.69) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL19710957 0.73 DYRK1A (0.41) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL12472965 0.73 DYRK1A (0.41) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162935 0.73 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 6 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-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 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 (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-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-20190225621-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.