SCHEMBL20173312

SCHEMBL20173312

Nc1ncnc2c1c(-c1ccc3c(c1)CCO3)cn2Cc1cn(-c2ccccc2F)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.43
HCK P08631 3/20 0.43
ABL1 P00519 2/20 0.43
EGFR P00533 2/20 0.43
PIK3CD O00329 1/20 0.43
KDR P35968 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
EPHB4 P54760 1/20 0.43
PRKDC P78527 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
EIF2AK3 Q9NZJ5 2/20 0.41
CFTR P13569 2/20 0.39
RIPK2 O43353 2/20 0.39
BTK Q06187 8/20 0.39
PI4K2A Q9BTU6 1/20 0.39
LCK P06239 3/20 0.38
RET P07949 3/20 0.38

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
SCHEMBL23481428 0.84 EIF2AK3 (0.41) SRCHCKABL1EIF2AK3CFTR
SCHEMBL21187270 0.82 EIF2AK3 (0.44) SRCHCKABL1EIF2AK3CFTR
SCHEMBL20173310 0.81 CFTR (0.43) SRCEIF2AK3CFTRRIPK2LCK
SCHEMBL20181897 0.80 SRC (0.42) SRCHCKABL1EGFRPIK3CD
SCHEMBL20162676 0.80 CFTR (0.41) SRCHCKABL1EGFRKDR
SCHEMBL30037245 0.80 CFTR (0.41) SRCHCKABL1EGFRKDR
SCHEMBL20173321 0.80 SRC (0.52) SRCABL1EGFRKDRRIPK2
SCHEMBL20173316 0.80 PIK3CD (0.45) SRCHCKABL1EGFRPIK3CD
SCHEMBL20173313 0.79 CFTR (0.41) SRCEIF2AK3CFTRRIPK2LCK
SCHEMBL21187310 0.79 CFTR (0.46) SRCABL1EGFRCFTRLCK

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 SRC 3551/4885HCK 2756/4885ABL1 3977/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SRC 3551/4885HCK 2756/4885ABL1 3977/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SRC 3551/4885HCK 2756/4885ABL1 3977/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 SRC 3551/4885HCK 2756/4885ABL1 3977/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 SRC 3742/4885HCK 2967/4885ABL1 4124/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SRC 3742/4885HCK 2967/4885ABL1 4124/4885

“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.