SCHEMBL20162989

SCHEMBL20162989

CCc1nc(N)c2c(-c3cn[nH]c3)c[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 5/20 0.40
CDC42BPB Q9Y5S2 4/20 0.40
CDC42BPA Q5VT25 4/20 0.40
LRRK2 Q5S007 2/20 0.40
MAPK1 P28482 4/20 0.39
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MTOR P42345 3/20 0.33
AURKB Q96GD4 2/20 0.33
AURKA O14965 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
HSP90AB1 P08238 1/20 0.32
PIM1 P11309 3/20 0.32
DYRK1A Q13627 2/20 0.32

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
SCHEMBL20163168 0.82 ROCK2 (0.45) PDPK1PIK3CAPIK3CGROCK2ROCK1
SCHEMBL20162845 0.76 IDO1 (0.38) HSP90AB1
SCHEMBL21174861 0.76 CCNT1 (0.36) PDPK1PIK3CAPIK3CGHSP90AB1CDK9
SCHEMBL20162801 0.74 JAK3 (0.36) PDPK1HSP90AB1
SCHEMBL20162987 0.73 PDPK1 (0.39) PDPK1PIK3CAPIK3CGMAPK1
SCHEMBL14938329 0.73 ADORA2B (0.38) PDPK1PIK3CAPIK3CGLRRK2
SCHEMBL30038241 0.72 CHEK1 (0.38) MAPK1HSP90AB1CHEK1
SCHEMBL21174860 0.71 HSP90AB1 (0.38) PDPK1HSP90AB1DYRK1ACDK9DYRK2
SCHEMBL20163167 0.69 PRKCI (0.38) PDPK1PIK3CAPIK3CGROCK2ROCK1
SCHEMBL20162834 0.67 MAPK1 (0.43) PIK3CAROCK2ROCK1CDC42BPBCDC42BPA

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 PDPK1 1784/4885PIK3CA 524/4885PIK3CG 1598/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PDPK1 1784/4885PIK3CA 524/4885PIK3CG 1598/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 PDPK1 1784/4885PIK3CA 524/4885PIK3CG 1598/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 PDPK1 1665/4885PIK3CA 547/4885PIK3CG 1624/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PDPK1 1665/4885PIK3CA 547/4885PIK3CG 1624/4885

“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.