SCHEMBL20163013

SCHEMBL20163013

CC(c1cn(-c2ccccc2F)nn1)n1cc(-c2cnccc2OC2CC2)c2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.41
KDR P35968 8/20 0.37
RET P07949 7/20 0.37
TEK Q02763 4/20 0.35
LCK P06239 2/20 0.35
SRC P12931 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.33
MELK Q14680 1/20 0.33

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
SCHEMBL30538094 1.00 CFTR (0.41) CFTRKDRRETTEKLCK
SCHEMBL30038236 0.85 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL30538092 0.85 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL20162625 0.85 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL20162623 0.85 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL20162744 0.84 CFTR (0.47) CFTRKDRRETTEKLCK
SCHEMBL20162743 0.84 CFTR (0.47) CFTRKDRRETTEKLCK
SCHEMBL30892152 0.84 CFTR (0.47) CFTRKDRRETTEKLCK
SCHEMBL30037196 0.84 CFTR (0.47) CFTRKDRRETTEKLCK
SCHEMBL27208127 0.80 SRC (0.51) CFTRKDRRETTEKLCK

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
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
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-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885KDR 3352/4885RET 916/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885KDR 3352/4885RET 916/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885KDR 3352/4885RET 916/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885KDR 3352/4885RET 916/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885KDR 3293/4885RET 962/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885KDR 3293/4885RET 962/4885

“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.