SCHEMBL20173316

SCHEMBL20173316

Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)cn2Cc1cn(-c2ccccc2F)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.45
TGFBR1 P36897 2/20 0.43
FYN P06241 1/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CG P48736 4/20 0.42
SRC P12931 5/20 0.42
ABL1 P00519 3/20 0.42
EGFR P00533 3/20 0.42
HCK P08631 3/20 0.42
KDR P35968 3/20 0.42
MTOR P42345 3/20 0.42
EPHB4 P54760 3/20 0.42
PRKDC P78527 3/20 0.42
PI4KB Q9UBF8 2/20 0.42
CFTR P13569 2/20 0.41
ATR Q13535 1/20 0.41
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL20173317 0.88 ATR (0.44) PIK3CDFYNPIK3CAPIK3CBPIK3CG
SCHEMBL20173313 0.83 CFTR (0.41) SRCCFTRLCKNOTUMRIPK2
SCHEMBL20173320 0.82 SRC (0.43) SRCCFTRLCKNOTUMRIPK2
SCHEMBL21187270 0.82 EIF2AK3 (0.44) FYNSRCABL1HCKCFTR
SCHEMBL23481428 0.81 EIF2AK3 (0.41) FYNSRCABL1HCKCFTR
SCHEMBL20173310 0.81 CFTR (0.43) SRCCFTRLCKNOTUMRIPK2
SCHEMBL20181897 0.81 SRC (0.42) PIK3CDPIK3CAPIK3CBPIK3CGSRC
SCHEMBL30037245 0.81 CFTR (0.41) FYNSRCABL1EGFRHCK
SCHEMBL20162676 0.81 CFTR (0.41) FYNSRCABL1EGFRHCK
SCHEMBL20173321 0.80 SRC (0.52) SRCABL1EGFRKDRLCK

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 7 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-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
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
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 (3 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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PIK3CD 1554/4885TGFBR1 522/4885FYN 1905/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 PIK3CD 1532/4885TGFBR1 434/4885FYN 2233/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PIK3CD 1532/4885TGFBR1 434/4885FYN 2233/4885

“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.