SCHEMBL20163004

SCHEMBL20163004

COc1ncc(F)cc1-c1ncc2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
PIK3CA P42336 1/20 0.37
SCN9A Q15858 3/20 0.37
BRD4 O60885 3/20 0.36
KDR P35968 2/20 0.36
FGFR1 P11362 1/20 0.36
MAPK14 Q16539 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CDK8 P49336 1/20 0.33
NAMPT P43490 1/20 0.33
LRRK2 Q5S007 1/20 0.33
WDR5 P61964 1/20 0.33
POLQ O75417 1/20 0.33
CSF1R P07333 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL20162953 0.80 PIK3CA (0.41) PIK3CASCN9ABRD4KDRFGFR1
SCHEMBL20162940 0.79 MAPT (0.44) ALOX5APFEN1PIK3CABRD4KDR
SCHEMBL30538048 0.78 CYP17A1 (0.38) ALOX5APFEN1PIK3CABRD4KDR
SCHEMBL30827972 0.71 CDK2 (0.40) ALOX5APFEN1SCN9AGPBAR1WDR5
SCHEMBL28582907 0.71 CDK2 (0.40) ALOX5APFEN1SCN9AGPBAR1WDR5
SCHEMBL17065188 0.69 MAPK1 (0.51) ALOX5APFEN1PIK3CAMAPK14TGFBR1
SCHEMBL4283965 0.67 AXL (0.36) ALOX5APFEN1PIK3CABRD4KDR
SCHEMBL27436087 0.67 ALOX5AP (0.46) ALOX5APFEN1KDRMAPK14CDK8
SCHEMBL1093257 0.67 BRD4 (0.43) ALOX5APFEN1PIK3CABRD4KDR
SCHEMBL17065175 0.67 MAP3K11 (0.46) PIK3CABRD4MKNK1MKNK2CDK8

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 ALOX5AP 1248/4885FEN1 1077/4885PIK3CA 524/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALOX5AP 1248/4885FEN1 1077/4885PIK3CA 524/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ALOX5AP 1248/4885FEN1 1077/4885PIK3CA 524/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 ALOX5AP 935/4885FEN1 2038/4885PIK3CA 452/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 ALOX5AP 1468/4885FEN1 1092/4885PIK3CA 547/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALOX5AP 1468/4885FEN1 1092/4885PIK3CA 547/4885

“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.