SCHEMBL546766

SCHEMBL546766

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(C(F)(F)F)ccc2OCCN2CCCC2)CC3)ccn1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.61
BRAF P15056 13/20 0.61
KDR P35968 2/20 0.49
DDR2 Q16832 1/20 0.48
SRC P12931 1/20 0.43

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
SCHEMBL545856 0.94 RAF1 (0.59) RAF1BRAFKDRDDR2SRC
SCHEMBL10262295 0.91 RAF1 (0.56) RAF1BRAFKDRDDR2SRC
SCHEMBL10199990 0.89 RAF1 (0.64) RAF1BRAFKDRDDR2SRC
SCHEMBL545800 0.87 BRAF (0.72) RAF1BRAFKDRSRC
SCHEMBL14453610 0.82 RAF1 (0.73) RAF1BRAFKDRDDR2SRC
SCHEMBL546023 0.82 BRAF (0.65) RAF1BRAFKDRDDR2SRC
SCHEMBL545460 0.82 BRAF (0.81) RAF1BRAFKDRSRC
SCHEMBL545807 0.81 BRAF (0.75) RAF1BRAFKDRSRC
SCHEMBL170968 0.81 DDR2 (0.68) RAF1BRAFKDRDDR2SRC
SCHEMBL545489 0.81 BRAF (0.48) RAF1BRAFKDRDDR2

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 4 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 claimed
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

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 RAF1 198/4885BRAF 215/4885KDR 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.