SCHEMBL10200789

SCHEMBL10200789

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.48
RAF1 P04049 13/20 0.48
KDR P35968 4/20 0.41
CYP3A4 P08684 2/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL545651 0.90 BRAF (0.46) BRAFRAF1KDRCYP3A4LCK
SCHEMBL10200800 0.89 BRAF (0.47) BRAFRAF1KDRCYP3A4LCK
SCHEMBL545403 0.89 RAF1 (0.60) BRAFRAF1KDRCYP3A4LCK
SCHEMBL10200788 0.89 BRAF (0.46) BRAFRAF1KDRCYP3A4LCK
SCHEMBL5424365 0.86 RAF1 (0.45) BRAFRAF1KDRCYP3A4LCK
SCHEMBL545310 0.86 BRAF (0.47) BRAFRAF1KDRCYP3A4LCK
SCHEMBL10200801 0.85 BRAF (0.46) BRAFRAF1KDRCYP3A4LCK
SCHEMBL545229 0.85 BRAF (0.48) BRAFRAF1KDR
SCHEMBL5425681 0.84 BRAF (0.48) BRAFRAF1KDR
SCHEMBL545190 0.84 BRAF (0.49) BRAFRAF1KDRPDGFRB

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 5 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-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.