SCHEMBL20162950

SCHEMBL20162950

COc1ncccc1-c1nc(N)c2cc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
PIK3CA P42336 6/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
AXL P30530 1/20 0.36
NUDT1 P36639 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CHRNA7 P36544 1/20 0.35
PIK3R1 P27986 1/20 0.35
DHFR P00374 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL20162787 0.82 BRD4 (0.36) HRH4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL21174856 0.81 MKNK1 (0.38) PIK3CAPIK3CDPIK3CBPIK3CGDHFR
SCHEMBL20162953 0.79 PIK3CA (0.41) PIK3CAPIK3R1
SCHEMBL16497095 0.77 NUDT1 (0.43) HRH4PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL20162633 0.72 PIK3CA (0.46) PIK3CAMTORPIK3R1DHFRMAPT
SCHEMBL20162866 0.70 TNF (0.46) PIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL1946981 0.69 IRAK4 (0.42) BTKRAB9ANPC1PIK3CAMTOR
SCHEMBL31262316 0.69 RAB9A (0.46) BTKHRH4RAB9ANPC1MTOR
SCHEMBL14274543 0.68 ADORA1 (0.51) RAB9AALDH1A1
SCHEMBL27930287 0.68 FGFR2 (0.54) BTKHRH4RAB9ANPC1PIK3CA

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 8 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
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
EP-3541390-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation Therapeutics Inc. (US) 2019-09-25 EP 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 (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 BTK 629/4885HRH4 92/4885RAB9A 1235/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 BTK 629/4885HRH4 92/4885RAB9A 1235/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 BTK 629/4885HRH4 92/4885RAB9A 1235/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 BTK 704/4885HRH4 110/4885RAB9A 1482/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 BTK 683/4885HRH4 92/4885RAB9A 1282/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 BTK 683/4885HRH4 92/4885RAB9A 1282/4885

“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.