SCHEMBL20163168

SCHEMBL20163168

Cc1nc(N)c2c(-c3cn[nH]c3)c[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
CDC42BPB Q9Y5S2 3/20 0.45
CDC42BPA Q5VT25 2/20 0.45
DYRK1A Q13627 10/20 0.44
DYRK2 Q92630 5/20 0.44
DYRK1B Q9Y463 5/20 0.44
PIM1 P11309 5/20 0.44
CDK9 P50750 2/20 0.44
LRRK2 Q5S007 2/20 0.42
MAPK1 P28482 2/20 0.41
PDPK1 O15530 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
CLK1 P49759 2/20 0.38
TTK P33981 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 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
SCHEMBL20162868 0.82 DYRK1A (0.46) ROCK2ROCK1CDC42BPBCDC42BPADYRK1A
SCHEMBL20162989 0.82 PDPK1 (0.44) ROCK2ROCK1CDC42BPBCDC42BPADYRK1A
SCHEMBL20508806 0.78 DYRK1A (0.66) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162986 0.77 DYRK1A (0.49) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20163167 0.75 PRKCI (0.38) ROCK2ROCK1CDC42BPBCDC42BPALRRK2
SCHEMBL20508774 0.73 DYRK1A (0.69) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL19710957 0.71 DYRK1A (0.41) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL12472965 0.71 DYRK1A (0.41) ROCK2ROCK1CDC42BPBCDC42BPADYRK1A
SCHEMBL20162843 0.70 DYRK1A (0.47) DYRK1ADYRK2DYRK1BPIM1CDK9
SCHEMBL20162834 0.70 MAPK1 (0.43) ROCK2ROCK1CDC42BPBCDC42BPADYRK1A

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 ROCK2 1340/4885ROCK1 874/4885CDC42BPB 555/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ROCK2 1340/4885ROCK1 874/4885CDC42BPB 555/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ROCK2 1340/4885ROCK1 874/4885CDC42BPB 555/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 ROCK2 1266/4885ROCK1 730/4885CDC42BPB 497/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ROCK2 1266/4885ROCK1 730/4885CDC42BPB 497/4885

“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.