SCHEMBL20163167

SCHEMBL20163167

Cc1c[nH]c2nc(-c3cn[nH]c3)nc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
LRRK2 Q5S007 2/20 0.37
MAPK1 P28482 2/20 0.36
LATS1 O95835 5/20 0.36
LATS2 Q9NRM7 3/20 0.36
PDPK1 O15530 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
EGFR P00533 2/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 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
SCHEMBL20162987 0.83 PDPK1 (0.39) PRKCIMAPK1LATS1PDPK1PIK3CA
SCHEMBL20162869 0.82 ROCK2 (0.39) ROCK2ROCK1CDC42BPACDC42BPBMAPK1
SCHEMBL20162914 0.75 TGFBR1 (0.32)
SCHEMBL20163168 0.75 ROCK2 (0.45) ROCK2ROCK1CDC42BPACDC42BPBLRRK2
SCHEMBL17500018 0.73 CHUK (0.42)
SCHEMBL20508828 0.72 NOS3 (0.41) ROCK2PDPK1PIK3CAPIK3CG
SCHEMBL12472961 0.72 NISCH (0.36) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL20508837 0.71
SCHEMBL20508813 0.69 ROCK2 (0.39) ROCK2ROCK1CDC42BPBLATS1LATS2
SCHEMBL14938324 0.69 LATS1 (0.34) PRKCIROCK2ROCK1LRRK2LATS1

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 PRKCI 1481/4885ROCK2 1340/4885ROCK1 874/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PRKCI 1481/4885ROCK2 1340/4885ROCK1 874/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PRKCI 1481/4885ROCK2 1340/4885ROCK1 874/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 PRKCI 1481/4885ROCK2 1340/4885ROCK1 874/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 PRKCI 1209/4885ROCK2 1266/4885ROCK1 730/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PRKCI 1209/4885ROCK2 1266/4885ROCK1 730/4885

“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.