SCHEMBL20162691

SCHEMBL20162691

CCC(Cl)c1cnn(-c2ccc(F)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 8/20 0.42
ACKR3 P25106 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
RXRA P19793 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL30038031 1.00 CFTR (0.42) CFTRACKR3MEN1GAAKMT2A
SCHEMBL20282471 0.85 CFTR (0.43) CFTRACKR3MEN1GAAKMT2A
SCHEMBL23283664 0.85 CFTR (0.43) CFTRACKR3MEN1GAAKMT2A
SCHEMBL30038199 0.85 CFTR (0.42) CFTRACKR3SIGMAR1CYP1A2CYP3A4
SCHEMBL20162841 0.85 CFTR (0.42) CFTRACKR3SIGMAR1CYP1A2CYP3A4
SCHEMBL20163075 0.84 CFTR (0.44) CFTRACKR3MEN1GAAKMT2A
SCHEMBL30038045 0.84 CFTR (0.44) CFTRACKR3MEN1GAAKMT2A
SCHEMBL20162857 0.83 CFTR (0.43) CFTRRXRAGRIN1GRIN2B
SCHEMBL30038218 0.83 CFTR (0.43) CFTRRXRAGRIN1GRIN2B
SCHEMBL2609426 0.81 CFTR (0.43) CFTRACKR3SIGMAR1CYP1A2CYP3A4

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 14 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-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
CN-110337294-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会治疗公司 2019-10-15 CN 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 1/4885ACKR3 492/4885MEN1 4087/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885ACKR3 492/4885MEN1 4087/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885ACKR3 492/4885MEN1 4087/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885ACKR3 492/4885MEN1 4087/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 CFTR 1/4885ACKR3 361/4885MEN1 4738/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885ACKR3 476/4885MEN1 4154/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885ACKR3 476/4885MEN1 4154/4885

“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.