SCHEMBL20162940

SCHEMBL20162940

COc1ncc(-c2ncc3cc[nH]c3n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALOX5AP P20292 4/20 0.43
FEN1 P39748 4/20 0.43
BRD4 O60885 2/20 0.41
PIK3CA P42336 2/20 0.41
CDK8 P49336 3/20 0.38
PTGES2 Q9H7Z7 1/20 0.36
KDR P35968 2/20 0.36
FGFR1 P11362 1/20 0.36
MAPK14 Q16539 1/20 0.36
AXL P30530 1/20 0.35
GRM2 Q14416 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NUDT1 P36639 1/20 0.35
MKNK2 Q9HBH9 2/20 0.34
PLK4 O00444 1/20 0.34
DCLK1 O15075 1/20 0.34

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
SCHEMBL20162633 0.80 PIK3CA (0.46) MAPTBRD4PIK3CAPTGES2MKNK2
SCHEMBL20163004 0.79 ALOX5AP (0.41) ALOX5APFEN1BRD4PIK3CACDK8
SCHEMBL17065175 0.75 MAP3K11 (0.46) MAPTBRD4PIK3CACDK8MKNK2
SCHEMBL17065188 0.72 MAPK1 (0.51) MAPTALOX5APFEN1PIK3CACDK8
SCHEMBL30538048 0.70 CYP17A1 (0.38) ALOX5APFEN1BRD4PIK3CACDK8
SCHEMBL20162798 0.69 FEN1 (0.41) ALOX5APFEN1PIK3CACDK8KDR
SCHEMBL30352947 0.69 CDK8 (0.54) MAPTALOX5APFEN1CDK8KDR
SCHEMBL844875 0.68 MAPK1 (0.53) ALOX5APFEN1PIK3CACDK8AXL
SCHEMBL20508757 0.67 PIK3CD (0.56) ALOX5APFEN1PIK3CACDK8AXL
SCHEMBL1093257 0.67 BRD4 (0.43) ALOX5APFEN1BRD4PIK3CACDK8

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 6 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
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-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MAPT 4878/4885ALOX5AP 1248/4885FEN1 1077/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4878/4885ALOX5AP 1248/4885FEN1 1077/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MAPT 4878/4885ALOX5AP 1248/4885FEN1 1077/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 MAPT 4880/4885ALOX5AP 935/4885FEN1 2038/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 MAPT 4877/4885ALOX5AP 1468/4885FEN1 1092/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4877/4885ALOX5AP 1468/4885FEN1 1092/4885

“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.