SCHEMBL20173304

SCHEMBL20173304

CC(c1cnc(-c2ccccc2F)[nH]1)n1cc([W])c2c(N)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.40
RET P07949 5/20 0.40
SRC P12931 5/20 0.37
TEK Q02763 3/20 0.37
LCK P06239 2/20 0.37
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PRKDC P78527 2/20 0.35
EGFR P00533 3/20 0.34
ABL1 P00519 2/20 0.34
HCK P08631 1/20 0.34
MTOR P42345 1/20 0.34
EPHB4 P54760 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
LRRK2 Q5S007 1/20 0.34
EIF2AK3 Q9NZJ5 2/20 0.33
CDK1 P06493 1/20 0.33
MAP4K4 O95819 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
SCHEMBL20182216 0.89 KDR (0.40) KDRRETSRCTEKLCK
SCHEMBL30036859 0.88 KDR (0.42) KDRRETSRCTEKLCK
SCHEMBL20162795 0.88 KDR (0.42) KDRRETSRCTEKLCK
SCHEMBL20175297 0.84 KDR (0.42) KDRRETSRCTEKLCK
SCHEMBL30892139 0.83 KDR (0.40) KDRRETSRCTEKLCK
SCHEMBL20175829 0.83 KDR (0.43) KDRRETSRCTEKLCK
SCHEMBL20175447 0.83 KDR (0.40) KDRRETSRCTEKLCK
SCHEMBL30037531 0.83 PIK3CD (0.43) KDRRETSRCTEKLCK
SCHEMBL20162933 0.83 PIK3CD (0.43) KDRRETSRCTEKLCK
SCHEMBL20181901 0.82 RET (0.35) KDRRETSRCTEKLCK

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 KDR 3293/4885RET 962/4885SRC 3742/4885

“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.