SCHEMBL20162962

SCHEMBL20162962

C#CC(C)n1cc(-c2ccc(Cl)cc2)c2c(N=CN(C)C)nc(C)nc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20162961 1.00 MAPT (0.38) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL20173292 1.00 MAPT (0.38) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL21618556 0.85 KDM4E (0.34) KDM4E
SCHEMBL20162792 0.69 DYRK1A (0.44) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL20173289 0.69 DYRK1A (0.44) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL20162791 0.69 DYRK1A (0.44) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL20173288 0.69 MAPT (0.38) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL20163006 0.69 MAPT (0.38) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL20163005 0.69 MAPT (0.38) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL30037235 0.67 KDR (0.58) SMN1; SMN2CYP1A2CYP2C19

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 11 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
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 MAPT 4878/4885KDM4E 4438/4885ALDH1A1 3071/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4878/4885KDM4E 4438/4885ALDH1A1 3071/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4878/4885KDM4E 4438/4885ALDH1A1 3071/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MAPT 4878/4885KDM4E 4438/4885ALDH1A1 3071/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 MAPT 4880/4885KDM4E 4809/4885ALDH1A1 3115/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 MAPT 4877/4885KDM4E 4451/4885ALDH1A1 2993/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4877/4885KDM4E 4451/4885ALDH1A1 2993/4885

“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.