SCHEMBL20173311

SCHEMBL20173311

Cc1cc(C#N)cc(-c2cn(Cc3cn(-c4ccccc4F)nn3)c3ncnc(N)c23)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.42
LRRK2 Q5S007 2/20 0.38
NOTUM Q6P988 1/20 0.37
RIPK2 O43353 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
SRC P12931 3/20 0.36
LCK P06239 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
RET P07949 1/20 0.35
PTGS2 P35354 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL20175298 0.90 SRC (0.42) CFTRLRRK2RIPK2SRCLCK
SCHEMBL20173314 0.83 CFTR (0.40) CFTRNOTUMEIF2AK3SRCIRAK4
SCHEMBL20173318 0.82 TEK (0.41) CFTRRIPK2EIF2AK3SRCLCK
SCHEMBL20181897 0.80 SRC (0.42) CFTRNOTUMRIPK2EIF2AK3SRC
SCHEMBL20173321 0.80 SRC (0.52) NOTUMRIPK2SRCLCKKDR
SCHEMBL20182215 0.80 NOTUM (0.48) CFTRNOTUMPTGS2CA2CA4
SCHEMBL21187310 0.79 CFTR (0.46) CFTRNOTUMSRCLCKRET
SCHEMBL30037245 0.79 CFTR (0.41) CFTRNOTUMRIPK2EIF2AK3SRC
SCHEMBL20162676 0.79 CFTR (0.41) CFTRNOTUMRIPK2EIF2AK3SRC
SCHEMBL23481428 0.77 EIF2AK3 (0.41) CFTRNOTUMRIPK2EIF2AK3SRC

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 2 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-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 (2 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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CFTR 1/4885LRRK2 1435/4885NOTUM 3642/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885LRRK2 1373/4885NOTUM 3686/4885

“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.