SCHEMBL20162972

SCHEMBL20162972

Nc1nc(-c2cnns2)nc2[nH]cc(-c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.40
GRM5 P41594 1/20 0.38
DYRK1A Q13627 7/20 0.36
STK3 Q13188 7/20 0.36
MAP4K4 O95819 6/20 0.36
PRKACA P17612 6/20 0.36
GSK3B P49841 6/20 0.36
CDC7 O00311 6/20 0.36
CDK5 Q00535 6/20 0.36
MARK3 P27448 6/20 0.36
ROCK2 O75116 6/20 0.36
CDK2 P24941 6/20 0.36
IRAK4 Q9NWZ3 6/20 0.36
NTRK1 P04629 5/20 0.36
PRKD3 O94806 5/20 0.36
CLK2 P49760 5/20 0.36
GSK3A P49840 5/20 0.36
MAP4K2 Q12851 5/20 0.36
ROCK1 Q13464 5/20 0.36
FLT3 P36888 5/20 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
SCHEMBL20162973 0.90 LRRK2 (0.38) LRRK2GRM5NTRK1CHUKCDK8
SCHEMBL743277 0.81 LRRK2 (0.46) LRRK2GRM5DYRK1ASTK3MAP4K4
SCHEMBL20162906 0.71 LRRK2 (0.45) LRRK2GRM5DYRK1ASTK3MAP4K4
SCHEMBL20162946 0.67 LRRK2 (0.43) LRRK2GRM5DYRK1ASTK3MAP4K4
SCHEMBL7021288 0.67 LRRK2 (0.63) LRRK2DYRK1ASTK3MAP4K4PRKACA
SCHEMBL20162907 0.66 DHPS (0.48) JAK3JAK2
SCHEMBL2204601 0.65 ALDH1A1 (0.44) KDRMAPK1TDO2
SCHEMBL28520194 0.65 CHUK (0.65) LRRK2GRM5DYRK1AMAP4K4PRKACA
SCHEMBL13539589 0.65 CHUK (0.50) LRRK2GRM5DYRK1ASTK3MAP4K4
SCHEMBL22609952 0.64 CHUK (0.49) LRRK2GRM5DYRK1ASTK3MAP4K4

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 1435/4885GRM5 2325/4885DYRK1A 942/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885GRM5 2325/4885DYRK1A 942/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885GRM5 2325/4885DYRK1A 942/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 LRRK2 1435/4885GRM5 2325/4885DYRK1A 942/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 LRRK2 1373/4885GRM5 2482/4885DYRK1A 902/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1373/4885GRM5 2482/4885DYRK1A 902/4885

“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.