SCHEMBL20175825

SCHEMBL20175825

CC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2ccc3c(c2)OCC(=O)N3)c2c(N)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
KDR P35968 8/20 0.37
TEK Q02763 5/20 0.37
LCK P06239 4/20 0.37
SRC P12931 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
PGR P06401 1/20 0.36
RET P07949 3/20 0.36
RIPK2 O43353 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NR3C2 P08235 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL20168784 0.87 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30037531 0.82 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20162933 0.82 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23481446 0.81 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20175828 0.81 KDR (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20175829 0.79 KDR (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20175297 0.78 KDR (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30037110 0.77 KDR (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20162746 0.77 KDR (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20173308 0.77 KDR (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4424311-A2 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation (US) 2024-09-04 EP disclosed
EP-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed
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
WO-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO 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 NSD2 4591/4885CYP11B1 607/4885CYP11B2 844/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 NSD2 4591/4885CYP11B1 607/4885CYP11B2 844/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 NSD2 4591/4885CYP11B1 607/4885CYP11B2 844/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 NSD2 4591/4885CYP11B1 607/4885CYP11B2 844/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 NSD2 4584/4885CYP11B1 587/4885CYP11B2 846/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 NSD2 4584/4885CYP11B1 587/4885CYP11B2 846/4885

“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.