SCHEMBL20162976

SCHEMBL20162976

Nc1ncnc2c1c(C1CN(C(=O)C3CC3)C1)cn2Cc1cn(-c2ccccc2F)nn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
CFTR P13569 4/20 0.38
HSP90AA1 P07900 1/20 0.38
BTK Q06187 4/20 0.37
PTGS2 P35354 1/20 0.36
PARP1 P09874 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
RET P07949 2/20 0.34
SRC P12931 1/20 0.34
EGFR P00533 3/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 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
SCHEMBL20163000 0.87 NOTUM (0.46) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL20162938 0.82 JAK2 (0.37) NOTUMCFTRHSP90AA1BTKPTGS2
SCHEMBL20162842 0.80 NOTUM (0.40) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL20182215 0.77 NOTUM (0.48) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL30036886 0.77 NOTUM (0.48) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL20173309 0.77 NOTUM (0.48) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL20162731 0.77 NOTUM (0.48) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL20162901 0.76 NOTUM (0.40) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL20162790 0.75 CFTR (0.40) NOTUMCFTRHSP90AA1PTGS2PARP1
SCHEMBL20162862 0.73 RET (0.47) CFTRMEN1KMT2ARETSRC

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 11 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-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 (7 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 NOTUM 3642/4885CFTR 1/4885HSP90AA1 3506/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 NOTUM 3642/4885CFTR 1/4885HSP90AA1 3506/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 NOTUM 3642/4885CFTR 1/4885HSP90AA1 3506/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 NOTUM 3642/4885CFTR 1/4885HSP90AA1 3506/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 NOTUM 3035/4885CFTR 1/4885HSP90AA1 3004/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 NOTUM 3686/4885CFTR 1/4885HSP90AA1 3610/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 NOTUM 3686/4885CFTR 1/4885HSP90AA1 3610/4885

“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.