SCHEMBL20163010

SCHEMBL20163010

COc1nc(N)c2c(-c3ccccn3)c[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 10/20 0.43
CCNT1 O60563 9/20 0.43
CDK5 Q00535 9/20 0.43
CDK5R1 Q15078 9/20 0.43
CCNA2 P20248 8/20 0.43
CDK2 P24941 8/20 0.43
CCNA1 P78396 8/20 0.43
ROCK1 Q13464 4/20 0.43
CDC42BPB Q9Y5S2 4/20 0.43
ROCK2 O75116 3/20 0.43
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
PIM1 P11309 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PRKCI P41743 1/20 0.36
PDPK1 O15530 1/20 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
SCHEMBL20162891 0.82 CDK9 (0.43) CDK9CCNT1CDK5CDK5R1CCNA2
SCHEMBL20162906 0.81 LRRK2 (0.45) CDK9CDK5CDK2ROCK1ROCK2
SCHEMBL20162997 0.76 MAPK1 (0.46) CDK9CCNT1CCNA2CDK2ROCK1
SCHEMBL20163011 0.74 FFAR1 (0.44) CDK9CCNT1CDK5CDK5R1CCNA2
SCHEMBL29174227 0.74 TDO2 (0.44)
SCHEMBL20162834 0.73 MAPK1 (0.43) CDK9ROCK1CDC42BPBROCK2PIM1
SCHEMBL20508818 0.72 DYRK1A (0.39) CDK9ROCK1CDC42BPBROCK2PIM1
SCHEMBL8679235 0.66 KDM4E (0.42) CDK5CDK5R1ROCK1CDC42BPBROCK2
SCHEMBL20508817 0.66 ROCK2 (0.33) ROCK1CDC42BPBROCK2
SCHEMBL1924499 0.66 KDM4E (0.48) PRKCILRRK2

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 CDK9 2980/4885CCNT1 997/4885CDK5 2888/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CDK9 2980/4885CCNT1 997/4885CDK5 2888/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CDK9 2980/4885CCNT1 997/4885CDK5 2888/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CDK9 2980/4885CCNT1 997/4885CDK5 2888/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CDK9 3014/4885CCNT1 928/4885CDK5 2954/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CDK9 3014/4885CCNT1 928/4885CDK5 2954/4885

“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.