SCHEMBL544938

SCHEMBL544938

CC(C)(C)c1cccc(NC(=O)C2=Cc3cc(Oc4ccnc(-c5ncc(CO)[nH]5)c4)ccc3OC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.45
BRAF P15056 10/20 0.41
CYP3A4 P08684 3/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
PDGFRB P09619 2/20 0.41
KIT P10721 2/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SHMT2 P34897 1/20 0.37

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
SCHEMBL545663 0.83 RAF1 (0.55) RAF1BRAFLCKFYNPDGFRB
SCHEMBL5429357 0.81 KDM4E (0.46) RAF1BRAFLCKFYNPDGFRB
SCHEMBL545139 0.80 RAF1 (0.49) RAF1BRAFCYP3A4LCKFYN
SCHEMBL5435304 0.79 RAF1 (0.48) RAF1BRAFCYP3A4LCKFYN
SCHEMBL5428323 0.79 KDR (0.55) BRAFKDR
SCHEMBL5424365 0.78 RAF1 (0.45) RAF1BRAFCYP3A4LCKFYN
SCHEMBL5422104 0.77 BRAF (0.41) RAF1BRAFLCKFYNPDGFRB
SCHEMBL5422099 0.77 BRAF (0.41) RAF1BRAFLCKFYNPDGFRB
SCHEMBL5422094 0.77 BRAF (0.41) RAF1BRAFLCKFYNPDGFRB
SCHEMBL10200789 0.75 BRAF (0.48) RAF1BRAFCYP3A4LCKFYN

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 2 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-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 215/4885CYP3A4 3260/4885

“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.