SCHEMBL20162834

SCHEMBL20162834

COc1nc(N)c2c(-c3cncnc3)c[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
DYRK1A Q13627 5/20 0.40
PIM1 P11309 2/20 0.38
DYRK2 Q92630 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CDK9 P50750 1/20 0.38
ROCK2 O75116 8/20 0.38
ROCK1 Q13464 8/20 0.38
CDC42BPB Q9Y5S2 8/20 0.38
NEK1 Q96PY6 1/20 0.36
CDC42BPA Q5VT25 1/20 0.35
NTRK1 P04629 2/20 0.34
MAP3K11 Q16584 1/20 0.34
KIT P10721 1/20 0.34
PIK3CA P42336 1/20 0.34

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) MAPK1DYRK1APIM1DYRK2DYRK1B
SCHEMBL20162906 0.83 LRRK2 (0.45) MAPK1DYRK1APIM1DYRK2DYRK1B
SCHEMBL20162868 0.81 DYRK1A (0.46) MAPK1DYRK1APIM1DYRK2DYRK1B
SCHEMBL20162891 0.79 CDK9 (0.43) DYRK1APIM1DYRK2DYRK1BCDK9
SCHEMBL20162835 0.76 MAPK1 (0.36) MAPK1DYRK1ACDK9NEK1NTRK1
SCHEMBL20163010 0.73 CDK9 (0.43) DYRK1APIM1DYRK2DYRK1BCDK9
SCHEMBL20162869 0.71 ROCK2 (0.39) MAPK1DYRK1AROCK2ROCK1CDC42BPB
SCHEMBL20163168 0.70 ROCK2 (0.45) MAPK1DYRK1APIM1DYRK2DYRK1B
SCHEMBL20162843 0.69 DYRK1A (0.47) DYRK1APIM1DYRK2DYRK1BCDK9
SCHEMBL23221981 0.69 JAK3 (0.48) DYRK1APIM1NTRK1

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 MAPK1 2745/4885DYRK1A 942/4885PIM1 3848/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2745/4885DYRK1A 942/4885PIM1 3848/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2745/4885DYRK1A 942/4885PIM1 3848/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MAPK1 2745/4885DYRK1A 942/4885PIM1 3848/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 MAPK1 2699/4885DYRK1A 902/4885PIM1 3461/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2699/4885DYRK1A 902/4885PIM1 3461/4885

“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.