SCHEMBL20173287

SCHEMBL20173287

COc1ccc(-c2c(C)n(Cc3cn(-c4ccc(F)cc4F)nn3)c3ncnc(/N=C/N(C)C)c23)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
RXRA P19793 10/20 0.35
GRIN1 Q05586 10/20 0.35
GRIN2B Q13224 10/20 0.35
F2RL3 Q96RI0 1/20 0.32
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL20162770 1.00 KCNH2 (0.36) KCNH2RXRAGRIN1GRIN2BF2RL3
SCHEMBL30538099 1.00 KCNH2 (0.36) KCNH2RXRAGRIN1GRIN2BF2RL3
SCHEMBL20162769 1.00 KCNH2 (0.36) KCNH2RXRAGRIN1GRIN2BF2RL3
SCHEMBL20162785 0.85 KCNH2 (0.40) KCNH2RXRAGRIN1GRIN2BF2RL3
SCHEMBL20162880 0.75 PIK3CD (0.32) F2RL3
SCHEMBL20173290 0.75 PIK3CD (0.32) F2RL3
SCHEMBL20162881 0.75 PIK3CD (0.32) F2RL3
SCHEMBL20163120 0.67 CFTR (0.44)
SCHEMBL20163119 0.67 CFTR (0.44)
SCHEMBL28957494 0.67 CFTR (0.37) KCNH2RXRAGRIN1GRIN2B

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 9 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-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-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
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 KCNH2 408/4885RXRA 945/4885GRIN1 2304/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 KCNH2 408/4885RXRA 945/4885GRIN1 2304/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 KCNH2 408/4885RXRA 945/4885GRIN1 2304/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 KCNH2 408/4885RXRA 945/4885GRIN1 2304/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 KCNH2 419/4885RXRA 1163/4885GRIN1 2333/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 KCNH2 419/4885RXRA 1163/4885GRIN1 2333/4885

“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.