SCHEMBL20162935

SCHEMBL20162935

COc1[nH]c2nc(C)nc(N)c2c1-c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.41
PIM1 P11309 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
DHFR P00374 3/20 0.31

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
SCHEMBL20162868 0.73 DYRK1A (0.46) DYRK1APIM1CDK9DYRK2DYRK1B
SCHEMBL20162843 0.65 DYRK1A (0.47) DYRK1APIM1CDK9DYRK2DYRK1B
SCHEMBL20162834 0.64 MAPK1 (0.43) DYRK1APIM1CDK9DYRK2DYRK1B
SCHEMBL20162835 0.63 MAPK1 (0.36) DYRK1ACDK9
SCHEMBL17047827 0.60 ACHE (0.56) DYRK1A
SCHEMBL10121590 0.60 ADORA3 (0.32)
SCHEMBL20162869 0.60 ROCK2 (0.39) DYRK1A
SCHEMBL20163168 0.59 ROCK2 (0.45) DYRK1APIM1CDK9DYRK2DYRK1B
SCHEMBL20508814 0.58 MDM2 (0.43) DYRK1ADHFR
SCHEMBL19710957 0.58 DYRK1A (0.41) DYRK1APIM1CDK9DYRK2DYRK1B

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 5 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-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 (5 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 DYRK1A 942/4885PIM1 3848/4885CDK9 2980/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DYRK1A 942/4885PIM1 3848/4885CDK9 2980/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 DYRK1A 942/4885PIM1 3848/4885CDK9 2980/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 DYRK1A 902/4885PIM1 3461/4885CDK9 3014/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DYRK1A 902/4885PIM1 3461/4885CDK9 3014/4885

“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.