SCHEMBL20163113

SCHEMBL20163113

Nc1ncnc2c1c(-c1ccc(Cl)cc1)c(Br)n2Cc1cn(-c2cccc(F)c2)nn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.44
GRIN1 Q05586 6/20 0.44
GRIN2B Q13224 6/20 0.44
NOTUM Q6P988 2/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
TRPV1 Q8NER1 2/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
KCNH2 Q12809 3/20 0.37
SRC P12931 1/20 0.37
PIK3CD O00329 1/20 0.36
RIPK2 O43353 1/20 0.36
PTGS2 P35354 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL30892140 0.84 CFTR (0.51) RXRAGRIN1GRIN2BNOTUMTRPV1
SCHEMBL20162780 0.84 CFTR (0.51) RXRAGRIN1GRIN2BNOTUMTRPV1
SCHEMBL30037914 0.72 CFTR (0.49) RXRAGRIN1GRIN2BNOTUMTRPV1
SCHEMBL20162726 0.72 CFTR (0.49) RXRAGRIN1GRIN2BNOTUMTRPV1
SCHEMBL30355044 0.68 CYP1A2 (0.41) SRCPIK3CDRIPK2
SCHEMBL20162800 0.68 CYP1A2 (0.41) SRCPIK3CDRIPK2
SCHEMBL20162990 0.67 FYN (0.41) KCNH2SRCRIPK2
SCHEMBL20182252 0.65 KDR (0.43) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL20162797 0.65 CYP1A2 (0.40) SRCRIPK2
SCHEMBL20162785 0.64 KCNH2 (0.40) RXRAGRIN1GRIN2BKCNH2PIK3CD

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
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
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-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

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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RXRA 945/4885GRIN1 2304/4885GRIN2B 1471/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RXRA 945/4885GRIN1 2304/4885GRIN2B 1471/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 RXRA 945/4885GRIN1 2304/4885GRIN2B 1471/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 RXRA 1867/4885GRIN1 3073/4885GRIN2B 3797/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 RXRA 1163/4885GRIN1 2333/4885GRIN2B 1592/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RXRA 1163/4885GRIN1 2333/4885GRIN2B 1592/4885

“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.