SCHEMBL4211041

SCHEMBL4211041

COC(=O)c1ccc(F)c(C(C)(C)C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
ERN1 O75460 1/20 0.40
ACLY P53396 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
SCHEMBL23705012 0.84 NOTUM (0.46) NOTUMRAB9ACA12CA1CA2
SCHEMBL31401512 0.83 LMNA (0.42) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL4207235 0.83 LMNA (0.42) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL20043300 0.83 NOTUM (0.51) NOTUMRAB9ACA12CA1CA2
SCHEMBL2192282 0.82 ALDH1A1 (0.49) NOTUMRAB9ACA12CA1CA2
SCHEMBL4390242 0.82 MAPT (0.51) NOTUMRAB9ACA12CA1CA2
SCHEMBL14012580 0.80 NOTUM (0.64) NOTUMCA12CA1CA2CA7
SCHEMBL752590 0.80 NOTUM (0.64) NOTUMCA12CA1CA2CA7
SCHEMBL25135200 0.76 KDM4E (0.44) NOTUMRAB9ACA12CA1CA2
SCHEMBL366584 0.75 CA1 (0.47) NOTUMRAB9ACA12CA1CA2

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 NOTUM 4158/4885RAB9A 131/4885CA12 4352/4885

“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.