SCHEMBL4766972

SCHEMBL4766972

O=S1(=O)CCN(CC#Cc2ccc(Nc3nc(NC4CCOCC4)c4nc[nH]c4n3)c(Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.36
NTRK1 P04629 1/20 0.36
EGFR P00533 1/20 0.36
TTK P33981 15/20 0.36
LRRK2 Q5S007 3/20 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
SCHEMBL4767272 0.93 TTK (0.39) EGFRTTK
SCHEMBL4767107 0.93 EGFR (0.42) EGFRTTKLRRK2
SCHEMBL4766920 0.91 TTK (0.43) PLK4NTRK1TTKLRRK2
SCHEMBL4766975 0.88 TTK (0.46) EGFRTTK
SCHEMBL4767168 0.87 TTK (0.45) EGFRTTKLRRK2
SCHEMBL4975970 0.86 MERTK (0.43) PLK4NTRK1EGFRTTKLRRK2
SCHEMBL4766968 0.86 TTK (0.37) PLK4NTRK1TTKLRRK2
SCHEMBL4767250 0.84 TTK (0.44) TTK
SCHEMBL4767077 0.83 TTK (0.48) TTKLRRK2
SCHEMBL4767175 0.83 TTK (0.48) TTK

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 PLK4 2263/4885NTRK1 4411/4885EGFR 565/4885

“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.