SCHEMBL20162891

SCHEMBL20162891

COc1nc(N)c2c(-c3cnccn3)c[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.43
CCNT1 O60563 8/20 0.43
CDK5 Q00535 8/20 0.43
CDK5R1 Q15078 8/20 0.43
CCNA2 P20248 7/20 0.43
CDK2 P24941 7/20 0.43
CCNA1 P78396 7/20 0.43
LRRK2 Q5S007 2/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
CDC42BPB Q9Y5S2 3/20 0.42
CDC42BPA Q5VT25 2/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
DYRK1A Q13627 2/20 0.36
PIM1 P11309 2/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HTR1A P08908 1/20 0.34
HTR7 P34969 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
SCHEMBL20163010 0.82 CDK9 (0.43) CDK9CCNT1CDK5CDK5R1CCNA2
SCHEMBL20162834 0.79 MAPK1 (0.43) CDK9ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL20162997 0.79 MAPK1 (0.46) CDK9CCNT1CCNA2CDK2LRRK2
SCHEMBL20162892 0.74 CCNT1 (0.41) CDK9CCNT1CDK5CDK5R1CCNA2
SCHEMBL20162906 0.73 LRRK2 (0.45) CDK9CDK5CDK2LRRK2ROCK2
SCHEMBL24672106 0.65 CDK2 (0.61) CDK9CCNT1CDK5CDK5R1CCNA2
SCHEMBL3570149 0.64 RECQL (0.49) HTTRECQL
SCHEMBL20162843 0.63 DYRK1A (0.47) CDK9CCNT1CDK5CDK5R1CCNA2
SCHEMBL29739982 0.62 TYK2 (0.41) HTTRECQLADORA3ADORA2AADORA2B
SCHEMBL24498473 0.62 TYK2 (0.41) HTTRECQLADORA3ADORA2AADORA2B

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.