SCHEMBL20162916

SCHEMBL20162916

OCc1nnc(-c2ccccc2F)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
DCUN1D1 Q96GG9 2/20 0.42
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PARP1 P09874 1/20 0.38
CXCR2 P25025 1/20 0.37
SLC9A1 P19634 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SCD O00767 2/20 0.36
DHODH Q02127 1/20 0.36
NOTUM Q6P988 1/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL30037077 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPC1PKMRAB9A
SCHEMBL20162782 0.82 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPC1PKMRAB9A
SCHEMBL30037237 0.82 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPC1PKMRAB9A
Hydrochloric Acid SCHEMBL30037093 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1NPC1PKMRAB9A
Hydrochloric Acid SCHEMBL20162658 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1NPC1PKMRAB9A
SCHEMBL31429224 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1NPC1PKMRAB9A
SCHEMBL30036846 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1PKMRAB9A
SCHEMBL5549468 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1PKMRAB9A
SCHEMBL15329999 0.71 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPC1PKMRAB9A
SCHEMBL3698954 0.69 DCUN1D1 (0.44) ALDH1A1L3MBTL1NPC1PKMRAB9A

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 ALDH1A1 3071/4885L3MBTL1 4203/4885NPC1 1742/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885L3MBTL1 4203/4885NPC1 1742/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885L3MBTL1 4203/4885NPC1 1742/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885L3MBTL1 4203/4885NPC1 1742/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 ALDH1A1 3115/4885L3MBTL1 4342/4885NPC1 251/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 ALDH1A1 2993/4885L3MBTL1 4259/4885NPC1 1796/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 2993/4885L3MBTL1 4259/4885NPC1 1796/4885

“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.