SCHEMBL20162861

SCHEMBL20162861

COc1nc(C(F)(F)F)ncc1-c1cn(Cc2cn(-c3ccccc3F)nn2)c2ncnc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.40
RXRA P19793 7/20 0.37
GRIN1 Q05586 7/20 0.37
GRIN2B Q13224 7/20 0.37
NOTUM Q6P988 1/20 0.36
PTGS2 P35354 1/20 0.36
KCNH2 Q12809 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
SCHEMBL30038063 1.00 CFTR (0.40) CFTRRXRAGRIN1GRIN2BNOTUM
SCHEMBL30037227 0.91 CFTR (0.48) CFTRRXRAGRIN1GRIN2BNOTUM
SCHEMBL20162665 0.91 CFTR (0.48) CFTRRXRAGRIN1GRIN2BNOTUM
SCHEMBL30038249 0.83 CFTR (0.43) CFTR
SCHEMBL20162657 0.83 CFTR (0.43) CFTR
SCHEMBL30037634 0.79 CFTR (0.42) CFTRNOTUM
SCHEMBL20162583 0.79 CFTR (0.42) CFTRNOTUM
SCHEMBL20182201 0.77 NOTUM (0.48) CFTRRXRAGRIN1GRIN2BNOTUM
SCHEMBL20162960 0.77 CFTR (0.53) CFTRRXRAGRIN1GRIN2BNOTUM
SCHEMBL30037171 0.76 CFTR (0.39) CFTRRXRAGRIN1GRIN2BNOTUM

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 12 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
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
CN-115850268-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2023-03-28 CN disclosed
CN-110337294-B Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2022-11-01 CN 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 1/4885RXRA 945/4885GRIN1 2304/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885RXRA 945/4885GRIN1 2304/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885RXRA 945/4885GRIN1 2304/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885RXRA 945/4885GRIN1 2304/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 CFTR 1/4885RXRA 1867/4885GRIN1 3073/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885RXRA 1163/4885GRIN1 2333/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885RXRA 1163/4885GRIN1 2333/4885

“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.