SCHEMBL20173315

SCHEMBL20173315

Cn1ncc2c(-c3cn(Cc4cn(-c5ccccc5F)nn4)c4ncnc(N)c34)cccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.39
TP53 P04637 1/20 0.38
NOTUM Q6P988 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
PTGS2 P35354 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
PARP1 P09874 1/20 0.35
SRC P12931 2/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL20173310 0.85 CFTR (0.43) CFTRNOTUMPTGS2EIF2AK3SRC
SCHEMBL20173320 0.84 SRC (0.43) CFTRNOTUMPTGS2EIF2AK3SRC
SCHEMBL27208132 0.82 CFTR (0.43) CFTRTP53EIF2AK3SRCLCK
SCHEMBL20163036 0.79 CFTR (0.41) CFTRNOTUMPTGS2EIF2AK3PARP1
SCHEMBL20182215 0.78 NOTUM (0.48) CFTRNOTUMTRPV1PTGS2PARP1
SCHEMBL20162738 0.78 NOTUM (0.39) CFTRNOTUMTRPV1PTGS2EIF2AK3
SCHEMBL30892142 0.78 NOTUM (0.39) CFTRNOTUMTRPV1PTGS2EIF2AK3
SCHEMBL20162960 0.78 CFTR (0.53) CFTRNOTUMPTGS2EIF2AK3SRC
SCHEMBL21187310 0.78 CFTR (0.46) CFTRNOTUMTRPV1SRCLCK
SCHEMBL20162718 0.78 CFTR (0.44) CFTRNOTUMPTGS2EIF2AK3SRC

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 1/4885TP53 1373/4885NOTUM 3642/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885TP53 1373/4885NOTUM 3642/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885TP53 1373/4885NOTUM 3642/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885TP53 1373/4885NOTUM 3642/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885TP53 1398/4885NOTUM 3686/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885TP53 1398/4885NOTUM 3686/4885

“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.