SCHEMBL20162946

SCHEMBL20162946

Nc1nc(-n2nccn2)nc2[nH]cc(-c3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.43
DYRK1A Q13627 8/20 0.41
PRKACA P17612 5/20 0.41
GSK3A P49840 5/20 0.41
GSK3B P49841 5/20 0.41
CDK5 Q00535 5/20 0.41
ROCK1 Q13464 5/20 0.41
NTRK1 P04629 4/20 0.41
PRKD3 O94806 4/20 0.41
MAP4K4 O95819 4/20 0.41
CLK2 P49760 4/20 0.41
MAP4K2 Q12851 4/20 0.41
PAK4 O96013 3/20 0.41
TAOK1 Q7L7X3 3/20 0.41
NTRK3 Q16288 3/20 0.41
NTRK2 Q16620 3/20 0.41
DYRK1B Q9Y463 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CDK8 P49336 2/20 0.41
MAP2K1 Q02750 2/20 0.41

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
SCHEMBL743277 0.77 LRRK2 (0.46) LRRK2DYRK1APRKACAGSK3AGSK3B
SCHEMBL20162906 0.75 LRRK2 (0.45) LRRK2DYRK1APRKACAGSK3AGSK3B
SCHEMBL20162949 0.74 DPP4 (0.40) LRRK2CHUK
SCHEMBL7021288 0.70 LRRK2 (0.63) LRRK2DYRK1APRKACAGSK3AGSK3B
SCHEMBL22609952 0.70 CHUK (0.49) LRRK2DYRK1APRKACAGSK3AGSK3B
SCHEMBL20508806 0.69 DYRK1A (0.66) DYRK1ACDK5NTRK1CLK2DYRK1B
SCHEMBL28520194 0.68 CHUK (0.65) LRRK2DYRK1APRKACAGSK3AGSK3B
SCHEMBL13539589 0.68 CHUK (0.50) LRRK2DYRK1APRKACAGSK3AGSK3B
SCHEMBL20162972 0.67 LRRK2 (0.40) LRRK2DYRK1APRKACAGSK3AGSK3B
SCHEMBL7846652 0.66 XDH (0.51) LRRK2DYRK1AGRM5FGFR1

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-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-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
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 LRRK2 1435/4885DYRK1A 942/4885PRKACA 701/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885DYRK1A 942/4885PRKACA 701/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885DYRK1A 942/4885PRKACA 701/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 LRRK2 1435/4885DYRK1A 942/4885PRKACA 701/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 LRRK2 1373/4885DYRK1A 902/4885PRKACA 633/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1373/4885DYRK1A 902/4885PRKACA 633/4885

“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.