SCHEMBL21187270

SCHEMBL21187270

CN1NCc2cc(-c3cn(Cc4cn(-c5ccccc5F)nn4)c4ncnc(N)c34)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 10/20 0.44
SRC P12931 4/20 0.40
LCK P06239 3/20 0.40
CFTR P13569 2/20 0.39
RIPK1 Q13546 6/20 0.38
TEK Q02763 2/20 0.38
MAPK13 O15264 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
HCK P08631 1/20 0.38
FGR P09769 1/20 0.38
KIT P10721 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
EIF2AK2 P19525 1/20 0.38

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
SCHEMBL23481428 0.83 EIF2AK3 (0.41) EIF2AK3SRCLCKCFTRRIPK1
SCHEMBL20173316 0.82 PIK3CD (0.45) EIF2AK3SRCLCKCFTRABL1
SCHEMBL20173312 0.82 SRC (0.43) EIF2AK3SRCLCKCFTRABL1
SCHEMBL20173310 0.82 CFTR (0.43) EIF2AK3SRCLCKCFTRTEK
SCHEMBL20173313 0.82 CFTR (0.41) EIF2AK3SRCLCKCFTRTEK
SCHEMBL30037245 0.81 CFTR (0.41) EIF2AK3SRCLCKCFTRRIPK1
SCHEMBL20162676 0.81 CFTR (0.41) EIF2AK3SRCLCKCFTRRIPK1
SCHEMBL20181897 0.81 SRC (0.42) EIF2AK3SRCLCKCFTRTEK
SCHEMBL20173320 0.81 SRC (0.43) EIF2AK3SRCLCKCFTRTEK
SCHEMBL20173321 0.81 SRC (0.52) SRCLCKTEKABL1ABL2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 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 (1 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-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 EIF2AK3 2813/4885SRC 3551/4885LCK 1198/4885

“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.