SCHEMBL20173313

SCHEMBL20173313

Cn1cc2cc(-c3cn(Cc4cn(-c5ccccc5F)nn4)c4ncnc(N)c34)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.41
SRC P12931 5/20 0.40
LCK P06239 2/20 0.40
EIF2AK3 Q9NZJ5 2/20 0.40
TEK Q02763 1/20 0.38
IGF1R P08069 1/20 0.37
NOTUM Q6P988 1/20 0.37
RIPK2 O43353 1/20 0.37
RET P07949 1/20 0.35
PTGS2 P35354 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL20173320 0.85 SRC (0.43) CFTRSRCLCKEIF2AK3TEK
SCHEMBL20173310 0.84 CFTR (0.43) CFTRSRCLCKEIF2AK3TEK
SCHEMBL20173316 0.83 PIK3CD (0.45) CFTRSRCLCKEIF2AK3NOTUM
SCHEMBL20162676 0.82 CFTR (0.41) CFTRSRCLCKEIF2AK3TEK
SCHEMBL20181897 0.82 SRC (0.42) CFTRSRCLCKEIF2AK3TEK
SCHEMBL30037245 0.82 CFTR (0.41) CFTRSRCLCKEIF2AK3TEK
SCHEMBL21187270 0.82 EIF2AK3 (0.44) CFTRSRCLCKEIF2AK3TEK
SCHEMBL20173321 0.81 SRC (0.52) SRCLCKTEKNOTUMRIPK2
SCHEMBL23481428 0.79 EIF2AK3 (0.41) CFTRSRCLCKEIF2AK3TEK
SCHEMBL20173317 0.79 ATR (0.44) CFTRSRCLCKIGF1RNOTUM

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 10 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-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
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 CFTR 1/4885SRC 3551/4885LCK 1198/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885SRC 3551/4885LCK 1198/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885SRC 3551/4885LCK 1198/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885SRC 3551/4885LCK 1198/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885SRC 3742/4885LCK 1455/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885SRC 3742/4885LCK 1455/4885

“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.