SCHEMBL4200744

SCHEMBL4200744

COC(=O)c1cc(OC)cc(C(C)(C)C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BRAF P15056 1/20 0.40
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL936288 0.90 NOTUM (0.46) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL4203961 0.86 RXRA (0.42) CA1CA2KDM4ECA12CA7
SCHEMBL4199163 0.84 CA12 (0.58) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL936865 0.84 CNR2 (0.43) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL4728312 0.83 CA1 (0.48) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL4969295 0.83 NOTUM (0.44) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL5004408 0.83 ATAD2 (0.43) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL4207015 0.83 NOTUM (0.63) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL26146853 0.83 ALDH1A1 (0.42) CA1CA2NOTUMKDM4EALDH1A1
SCHEMBL5055677 0.81 ALDH1A1 (0.48) CA1CA2KDM4EALDH1A1GAA

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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF CA1 3619/4885CA2 1989/4885NOTUM 4158/4885

“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.