SCHEMBL20173319

SCHEMBL20173319

CC(c1cn(-c2ccccc2F)nn1)n1cc([W])c2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 15/20 0.49
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KDR P35968 3/20 0.38
RET P07949 2/20 0.38
NOTUM Q6P988 1/20 0.36
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
TEK Q02763 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
SCHEMBL30037943 0.88 CFTR (0.49) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL20162765 0.88 CFTR (0.49) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL27208127 0.86 SRC (0.51) CFTRKDRRETLCKSRC
SCHEMBL30538114 0.85 CFTR (0.46) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL30038273 0.85 CFTR (0.46) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL20162612 0.85 CFTR (0.46) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL20162611 0.85 CFTR (0.46) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL20162622 0.83 CFTR (0.45) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL20162663 0.83 KDR (0.48) CFTRKDRRETLCKSRC
SCHEMBL30036834 0.83 KDR (0.48) CFTRKDRRETLCKSRC

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-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 (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-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CFTR 1/4885PI4KA 2428/4885PI4K2B 2172/4885

“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.