SCHEMBL17486554

SCHEMBL17486554

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OCF)nc2=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 3/20 0.35
KCNH2 Q12809 1/20 0.35
IGF1R P08069 5/20 0.35
S1PR1 P21453 2/20 0.34
RET P07949 7/20 0.32
KDR P35968 5/20 0.32
FLT3 P36888 1/20 0.32
MAPT P10636 1/20 0.31
ROCK1 Q13464 1/20 0.31
MYLK4 Q86YV6 1/20 0.31

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
SCHEMBL14123 0.90 IDH2 (0.37) P2RY1KCNH2IGF1RS1PR1RET
SCHEMBL17354485 0.89 IGF1R (0.36) P2RY1IGF1RMAPT
SCHEMBL17354474 0.89 IGF1R (0.40) P2RY1KCNH2IGF1RRETKDR
SCHEMBL17354151 0.88 S1PR1 (0.39) P2RY1KCNH2S1PR1KDRFLT3
SCHEMBL17354473 0.87 IGF1R (0.37) P2RY1KCNH2IGF1RRETKDR
SCHEMBL13730 0.86 FLT3 (0.34) IGF1RS1PR1RETKDRFLT3
SCHEMBL14275 0.85 DGAT2 (0.36) KCNH2MAPT
SCHEMBL17486581 0.84 IGF1R (0.33) P2RY1IGF1R
SCHEMBL17486576 0.84 IGF1R (0.35) P2RY1IGF1R
SCHEMBL17354140 0.83 S1PR1 (0.36) IGF1RS1PR1RETKDRFLT3

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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT P2RY1 3578/4885KCNH2 3637/4885IGF1R 4795/4885

“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.