SCHEMBL20162801

SCHEMBL20162801

CCc1nc(N)c2c(-c3cnco3)c[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.36
IMPDH2 P12268 7/20 0.34
IMPDH1 P20839 2/20 0.34
AAK1 Q2M2I8 6/20 0.33
ADRA1A P35348 1/20 0.33
HSP90AB1 P08238 1/20 0.31
ATR Q13535 1/20 0.31
PDPK1 O15530 1/20 0.31
CYP19A1 P11511 1/20 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
SCHEMBL21174860 0.77 HSP90AB1 (0.38) ADRA1AHSP90AB1PDPK1CYP19A1
SCHEMBL20162845 0.76 IDO1 (0.38) JAK3HSP90AB1
SCHEMBL20162799 0.74 ADORA2A (0.37) IMPDH2IMPDH1AAK1
SCHEMBL20162989 0.74 PDPK1 (0.44) HSP90AB1PDPK1
SCHEMBL21174861 0.71 CCNT1 (0.36) HSP90AB1PDPK1
SCHEMBL30038241 0.70 CHEK1 (0.38) HSP90AB1
SCHEMBL5064949 0.66 IMPDH2 (0.37) JAK3IMPDH2IMPDH1ADRA1AATR
SCHEMBL21174862 0.61 CCNT1 (0.36) PDPK1
SCHEMBL16371219 0.59 IMPDH2 (0.60) IMPDH2IMPDH1AAK1CYP19A1
SCHEMBL20162868 0.59 DYRK1A (0.46)

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 JAK3 2615/4885IMPDH2 3613/4885IMPDH1 3140/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 JAK3 2615/4885IMPDH2 3613/4885IMPDH1 3140/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 JAK3 2615/4885IMPDH2 3613/4885IMPDH1 3140/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 JAK3 2615/4885IMPDH2 3613/4885IMPDH1 3140/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 JAK3 2586/4885IMPDH2 3370/4885IMPDH1 2842/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 JAK3 2586/4885IMPDH2 3370/4885IMPDH1 2842/4885

“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.