SCHEMBL20173323

SCHEMBL20173323

CC(c1cc(-c2ccccc2F)no1)n1cc([W])c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 17/20 0.45
CFTR P13569 1/20 0.39
KDR P35968 4/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL20182176 0.89 RET (0.46) RETCFTRKDRPIK3CDPIK3CA
SCHEMBL30037388 0.88 RET (0.45) RETCFTRKDRPIK3CDPIK3CA
SCHEMBL20162767 0.88 RET (0.45) RETCFTRKDRPIK3CDPIK3CA
SCHEMBL20162651 0.84 KDR (0.46) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL20162649 0.84 KDR (0.46) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL30037546 0.84 KDR (0.46) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL30538106 0.84 KDR (0.46) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL20173328 0.83 KDR (0.45) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL20162640 0.83 RET (0.46) RETCFTRKDRPIK3CDPIK3CA
SCHEMBL30037147 0.83 RET (0.46) RETCFTRKDRPIK3CDPIK3CA

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 RET 962/4885CFTR 1/4885KDR 3293/4885

“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.