SCHEMBL20163041

SCHEMBL20163041

CCCCOC(=O)c1nnc(-c2ccccc2F)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL30037669 1.00 TSHR (0.47) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL30036379 0.87 ALOX5 (0.46) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL25437824 0.70 ALDH1A1 (0.50) TSHRL3MBTL1CYP3A4MAPK1TP53
SCHEMBL14557460 0.68 TSHR (0.83) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL722367 0.68 ALDH1A1 (0.60) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL28024831 0.67 TSHR (0.78) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL17324405 0.67 KMT2A (0.50) TSHRL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL31028955 0.66 ALDH1A1 (0.79) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL29011412 0.66 ALDH1A1 (0.79) TSHRL3MBTL1TDP1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL2330224 0.66 TSHR (1.00) TSHRL3MBTL1TDP1CYP3A4MAPK1

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 13 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
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
CN-115850268-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2023-03-28 CN disclosed
CN-110337294-B Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2022-11-01 CN 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 TSHR 205/4885L3MBTL1 4203/4885TDP1 719/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 TSHR 205/4885L3MBTL1 4203/4885TDP1 719/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 TSHR 205/4885L3MBTL1 4203/4885TDP1 719/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 TSHR 205/4885L3MBTL1 4203/4885TDP1 719/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 TSHR 473/4885L3MBTL1 4342/4885TDP1 1755/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 TSHR 201/4885L3MBTL1 4259/4885TDP1 672/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 TSHR 201/4885L3MBTL1 4259/4885TDP1 672/4885

“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.