SCHEMBL545167

SCHEMBL545167

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1Cc2cc(Oc3ccnc(C4=NCCN4)c3)ccc2CC1O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.52
RAF1 P04049 5/20 0.52
KDR P35968 15/20 0.50
FLT1 P17948 1/20 0.47

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
SCHEMBL545176 0.87 BRAF (0.52) BRAFRAF1KDRFLT1
SCHEMBL545791 0.87 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545179 0.87 BRAF (0.70) BRAFRAF1KDR
SCHEMBL547123 0.87 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545333 0.86 BRAF (0.54) BRAFRAF1KDRFLT1
Hydrochloric Acid SCHEMBL547568 0.86 BRAF (0.69) BRAFRAF1KDR
SCHEMBL5422515 0.85 BRAF (0.60) BRAFRAF1KDR
SCHEMBL545614 0.85 RAF1 (0.54) BRAFRAF1KDRFLT1
SCHEMBL3539177 0.84 KDR (0.54) BRAFRAF1KDRFLT1
SCHEMBL545926 0.82 RAF1 (0.75) BRAFRAF1KDRFLT1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 BRAF 215/4885RAF1 198/4885KDR 1264/4885

“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.