SCHEMBL20162938

SCHEMBL20162938

Nc1ncnc2c1c(C1CN(S(=O)(=O)CC3CC3)C1)cn2Cc1cn(-c2ccccc2F)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
JAK3 P52333 4/20 0.37
NOTUM Q6P988 1/20 0.37
HSP90AA1 P07900 1/20 0.37
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA4 P22748 2/20 0.36
CA1 P00915 3/20 0.36
CFTR P13569 3/20 0.36
PTGS2 P35354 1/20 0.35
RET P07949 1/20 0.33
PARP1 P09874 1/20 0.33
BTK Q06187 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 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
SCHEMBL20163000 0.85 NOTUM (0.46) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL20162976 0.82 NOTUM (0.40) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL20162842 0.77 NOTUM (0.40) NOTUMHSP90AA1CFTRPTGS2RET
SCHEMBL20162731 0.75 NOTUM (0.48) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL30036886 0.75 NOTUM (0.48) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL20182215 0.75 NOTUM (0.48) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL20173309 0.75 NOTUM (0.48) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL20162901 0.75 NOTUM (0.40) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL20162790 0.74 CFTR (0.40) NOTUMHSP90AA1CA2CA9CA4
SCHEMBL20162862 0.71 RET (0.47) SCN9ACFTRRETPI4KAPI4K2B

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-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
EP-4424311-A2 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation (US) 2024-09-04 EP disclosed
EP-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS PFIZER INC. 2020-01-16 US 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
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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 JAK2 873/4885JAK1 1720/4885JAK3 2615/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 JAK2 873/4885JAK1 1720/4885JAK3 2615/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 JAK2 873/4885JAK1 1720/4885JAK3 2615/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 JAK2 1660/4885JAK1 2358/4885JAK3 2568/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 JAK2 911/4885JAK1 1548/4885JAK3 2586/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 JAK2 911/4885JAK1 1548/4885JAK3 2586/4885

“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.