SCHEMBL20162790

SCHEMBL20162790

COCC1CC1c1cn(Cc2cn(-c3ccccc3F)nn2)c2ncnc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.40
NOTUM Q6P988 1/20 0.39
PTGS2 P35354 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA5A P35218 1/20 0.34
PTGS1 P23219 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM1A O60341 1/20 0.34
RET P07949 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PARP1 P09874 1/20 0.33
CA4 P22748 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
SCHEMBL20163000 0.83 NOTUM (0.46) CFTRNOTUMPTGS2HSP90AA1CA2
SCHEMBL20182215 0.80 NOTUM (0.48) CFTRNOTUMPTGS2HSP90AA1CA2
SCHEMBL20162901 0.79 NOTUM (0.40) CFTRNOTUMPTGS2HSP90AA1CA2
SCHEMBL20162842 0.79 NOTUM (0.40) CFTRNOTUMPTGS2HSP90AA1TRPV1
SCHEMBL30036886 0.78 NOTUM (0.48) CFTRNOTUMPTGS2HSP90AA1CA2
SCHEMBL20173309 0.78 NOTUM (0.48) CFTRNOTUMPTGS2HSP90AA1CA2
SCHEMBL20162731 0.78 NOTUM (0.48) CFTRNOTUMPTGS2HSP90AA1CA2
SCHEMBL20173321 0.77 SRC (0.52) NOTUM
SCHEMBL20162855 0.75 CFTR (0.42) CFTRNOTUMPTGS2HSP90AA1CA2
SCHEMBL20163036 0.75 CFTR (0.41) CFTRNOTUMPTGS2HSP90AA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
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
EP-3541390-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation Therapeutics Inc. (US) 2019-09-25 EP 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 (7 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 1/4885NOTUM 3642/4885PTGS2 891/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885NOTUM 3642/4885PTGS2 891/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885NOTUM 3642/4885PTGS2 891/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885NOTUM 3642/4885PTGS2 891/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 CFTR 1/4885NOTUM 3035/4885PTGS2 678/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885NOTUM 3686/4885PTGS2 959/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885NOTUM 3686/4885PTGS2 959/4885

“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.