SCHEMBL545403

SCHEMBL545403

CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)cc3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.60
BRAF P15056 12/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CYP3A4 P08684 1/20 0.55
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL10200800 0.89 BRAF (0.47) RAF1BRAFLCKFYNCYP3A4
SCHEMBL10200789 0.89 BRAF (0.48) RAF1BRAFLCKFYNCYP3A4
SCHEMBL10200788 0.89 BRAF (0.46) RAF1BRAFLCKFYNCYP3A4
SCHEMBL10200801 0.85 BRAF (0.46) RAF1BRAFLCKFYNCYP3A4
SCHEMBL545229 0.85 BRAF (0.48) RAF1BRAFKDR
SCHEMBL545341 0.84 RAF1 (0.73) RAF1BRAF
SCHEMBL545651 0.84 BRAF (0.46) RAF1BRAFLCKFYNCYP3A4
SCHEMBL5425681 0.84 BRAF (0.48) RAF1BRAFKDR
SCHEMBL545190 0.84 BRAF (0.49) RAF1BRAFPDGFRBKDR
SCHEMBL4848725 0.84 BRAF (0.49) RAF1BRAFKDR

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 3 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

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 215/4885LCK 101/4885

“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.