SCHEMBL20173317

SCHEMBL20173317

Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)cn2Cc1cn(-c2ccccc2F)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.44
ABL1 P00519 6/20 0.44
SRC P12931 6/20 0.44
MTOR P42345 6/20 0.44
HCK P08631 4/20 0.44
PIK3CD O00329 3/20 0.44
EGFR P00533 3/20 0.44
KDR P35968 3/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
EPHB4 P54760 3/20 0.44
PRKDC P78527 3/20 0.44
FYN P06241 4/20 0.42
RET P07949 4/20 0.42
LCK P06239 3/20 0.42
LRRK2 Q5S007 2/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL20173316 0.88 PIK3CD (0.45) ATRABL1SRCMTORHCK
SCHEMBL21187310 0.82 CFTR (0.46) ABL1SRCEGFRRETLCK
SCHEMBL27208331 0.81 CFTR (0.39) ABL1SRCEGFRRETLCK
SCHEMBL20173320 0.80 SRC (0.43) SRCLCKIGF1RCFTRNOTUM
SCHEMBL20173310 0.79 CFTR (0.43) SRCLCKIGF1RCFTRNOTUM
SCHEMBL20173313 0.79 CFTR (0.41) SRCRETLCKIGF1RCFTR
SCHEMBL20173321 0.78 SRC (0.52) ABL1SRCEGFRKDRLCK
SCHEMBL23481428 0.77 EIF2AK3 (0.41) ABL1SRCHCKFYNRET
SCHEMBL20173311 0.77 CFTR (0.42) SRCKDRRETLCKLRRK2
SCHEMBL20181897 0.77 SRC (0.42) ABL1SRCMTORHCKPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 ATR 1745/4885ABL1 3977/4885SRC 3551/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ATR 1745/4885ABL1 3977/4885SRC 3551/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ATR 1745/4885ABL1 3977/4885SRC 3551/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ATR 1745/4885ABL1 3977/4885SRC 3551/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 ATR 1690/4885ABL1 4124/4885SRC 3742/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ATR 1690/4885ABL1 4124/4885SRC 3742/4885

“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.