SCHEMBL20162997

SCHEMBL20162997

COc1nc(N)c2c(-c3cccnc3)c[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
LRRK2 Q5S007 2/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
CDC42BPB Q9Y5S2 2/20 0.44
DYRK1A Q13627 6/20 0.43
NTRK1 P04629 1/20 0.43
PIK3CA P42336 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
KIT P10721 1/20 0.42
NEK1 Q96PY6 1/20 0.42
GSK3B P49841 1/20 0.41
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 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
SCHEMBL20162834 0.85 MAPK1 (0.43) MAPK1ROCK2ROCK1CDC42BPBDYRK1A
SCHEMBL20162906 0.85 LRRK2 (0.45) MAPK1LRRK2ROCK2ROCK1DYRK1A
SCHEMBL20162891 0.79 CDK9 (0.43) LRRK2ROCK2ROCK1CDC42BPBDYRK1A
SCHEMBL20163010 0.76 CDK9 (0.43) LRRK2ROCK2ROCK1CDC42BPBDYRK1A
SCHEMBL28057753 0.76 LRRK2 (0.62) MAPK1LRRK2ROCK2ROCK1CDC42BPB
SCHEMBL20162998 0.75 MAPT (0.44) MAPK1KDM4EKITNPSR1PDPK1
SCHEMBL1924022 0.70 CYP2A6 (0.50) MAPK1DYRK1ANTRK1PIK3CAKDM4E
SCHEMBL17636820 0.68 KIT (0.67) MAPK1ROCK2ROCK1CDC42BPBDYRK1A
SCHEMBL20162868 0.67 DYRK1A (0.46) MAPK1ROCK2ROCK1CDC42BPBDYRK1A
SCHEMBL20508806 0.66 DYRK1A (0.66) DYRK1ANTRK1CDK9PIM1DYRK2

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 MAPK1 2745/4885LRRK2 1435/4885ROCK2 1340/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2745/4885LRRK2 1435/4885ROCK2 1340/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2745/4885LRRK2 1435/4885ROCK2 1340/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MAPK1 2745/4885LRRK2 1435/4885ROCK2 1340/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 MAPK1 2699/4885LRRK2 1373/4885ROCK2 1266/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2699/4885LRRK2 1373/4885ROCK2 1266/4885

“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.