SCHEMBL20162869

SCHEMBL20162869

Cc1c[nH]c2nc(-c3cncnc3)nc(N)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 5/20 0.39
CDC42BPB Q9Y5S2 5/20 0.39
MAPK1 P28482 2/20 0.37
LIMK1 P53667 1/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TGFBR1 P36897 3/20 0.33
CDC42BPA Q5VT25 2/20 0.33
TGFBR2 P37173 1/20 0.33
NEK1 Q96PY6 1/20 0.32
HASPIN Q8TF76 1/20 0.32
AR P10275 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL20163167 0.82 PRKCI (0.38) ROCK2ROCK1CDC42BPBMAPK1CDC42BPA
SCHEMBL20162835 0.81 MAPK1 (0.36) MAPK1NEK1DYRK1A
SCHEMBL20162868 0.77 DYRK1A (0.46) ROCK2ROCK1CDC42BPBMAPK1TTK
SCHEMBL17500018 0.73 CHUK (0.42)
SCHEMBL20508828 0.72 NOS3 (0.41) ROCK2LIMK1TGFBR1TGFBR2
SCHEMBL12472961 0.72 NISCH (0.36) ROCK2ROCK1CDC42BPBTGFBR1CDC42BPA
SCHEMBL20162914 0.72 TGFBR1 (0.32) TGFBR1TGFBR2
SCHEMBL20162834 0.71 MAPK1 (0.43) ROCK2ROCK1CDC42BPBMAPK1CDC42BPA
SCHEMBL20508837 0.71
SCHEMBL20508813 0.69 ROCK2 (0.39) ROCK2ROCK1CDC42BPBTGFBR1TGFBR2

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 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-20190225621-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.