SCHEMBL20162906

SCHEMBL20162906

COc1nc(N)c2c(-c3ccccc3)c[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.45
DYRK1A Q13627 7/20 0.43
STK3 Q13188 4/20 0.43
PRKD3 O94806 3/20 0.43
MAP4K4 O95819 3/20 0.43
NTRK1 P04629 3/20 0.43
PRKACA P17612 3/20 0.43
CLK2 P49760 3/20 0.43
GSK3A P49840 3/20 0.43
GSK3B P49841 3/20 0.43
CDK5 Q00535 3/20 0.43
MAP4K2 Q12851 3/20 0.43
ROCK1 Q13464 3/20 0.43
TAOK1 Q7L7X3 3/20 0.43
CDC7 O00311 3/20 0.43
MARK3 P27448 3/20 0.43
FLT3 P36888 3/20 0.43
MELK Q14680 3/20 0.43
JAK2 O60674 3/20 0.43
JAK3 P52333 3/20 0.43

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
SCHEMBL20162997 0.85 MAPK1 (0.46) LRRK2DYRK1ANTRK1GSK3BROCK1
SCHEMBL20162834 0.83 MAPK1 (0.43) DYRK1ANTRK1ROCK1PIM1ROCK2
SCHEMBL20163010 0.81 CDK9 (0.43) LRRK2DYRK1ACDK5ROCK1JAK2
SCHEMBL743277 0.79 LRRK2 (0.46) LRRK2DYRK1ASTK3PRKD3MAP4K4
SCHEMBL20162946 0.75 LRRK2 (0.43) LRRK2DYRK1ASTK3PRKD3MAP4K4
SCHEMBL20162891 0.73 CDK9 (0.43) LRRK2DYRK1ANTRK1CDK5ROCK1
SCHEMBL7021288 0.72 LRRK2 (0.63) LRRK2DYRK1ASTK3PRKD3MAP4K4
SCHEMBL22609952 0.72 CHUK (0.49) LRRK2DYRK1ASTK3PRKD3MAP4K4
SCHEMBL20162907 0.71 DHPS (0.48) JAK2JAK3KMT2A
SCHEMBL20162972 0.71 LRRK2 (0.40) LRRK2DYRK1ASTK3PRKD3MAP4K4

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 8 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
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 (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 942/4885STK3 1380/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885DYRK1A 942/4885STK3 1380/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885DYRK1A 942/4885STK3 1380/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 LRRK2 1435/4885DYRK1A 942/4885STK3 1380/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 LRRK2 1373/4885DYRK1A 902/4885STK3 1296/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1373/4885DYRK1A 902/4885STK3 1296/4885

“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.