SCHEMBL20162987

SCHEMBL20162987

CCc1c[nH]c2nc(-c3cn[nH]c3)nc(N)c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKCI P41743 3/20 0.35
LATS1 O95835 1/20 0.34
MAPK1 P28482 1/20 0.33
MAP4K1 Q92918 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
SCHEMBL20163167 0.83 PRKCI (0.38) PDPK1PIK3CAPIK3CGPRKCILATS1
SCHEMBL20162956 0.76 TRPA1 (0.32)
SCHEMBL20162844 0.76 NAMPT (0.34) MAP4K1
SCHEMBL25722173 0.75
SCHEMBL20162799 0.74 ADORA2A (0.37)
SCHEMBL20162989 0.73 PDPK1 (0.44) PDPK1PIK3CAPIK3CGMAPK1
SCHEMBL14938324 0.73 LATS1 (0.34) PDPK1PIK3CAPIK3CGPRKCILATS1
SCHEMBL21174859 0.71 TRPA1 (0.33)
SCHEMBL20163168 0.68 ROCK2 (0.45) PDPK1PIK3CAPIK3CGMAPK1
SCHEMBL25776394 0.66 TRPA1 (0.51) MAP4K1

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 PDPK1 1784/4885PIK3CA 524/4885PIK3CG 1598/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PDPK1 1784/4885PIK3CA 524/4885PIK3CG 1598/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PDPK1 1784/4885PIK3CA 524/4885PIK3CG 1598/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 PDPK1 1784/4885PIK3CA 524/4885PIK3CG 1598/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 PDPK1 1665/4885PIK3CA 547/4885PIK3CG 1624/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PDPK1 1665/4885PIK3CA 547/4885PIK3CG 1624/4885

“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.