SCHEMBL546141

SCHEMBL546141

CN1CCN(Cc2c[nH]c(-c3cc(Oc4ccc5ncc(C(=O)Nc6cccc(C(C)(C)C)c6)cc5c4)ccn3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 4/20 0.43
PDGFRB P09619 4/20 0.43
CYP3A4 P08684 3/20 0.43
LCK P06239 3/20 0.43
FYN P06241 3/20 0.43
KIT P10721 3/20 0.43
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
MAPK14 Q16539 1/20 0.41
SRC P12931 4/20 0.41
ABL1 P00519 3/20 0.41
RET P07949 2/20 0.40
ACKR3 P25106 1/20 0.39
BCR P11274 1/20 0.39
PDGFRA P16234 1/20 0.39
SYK P43405 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL5429952 0.88 BRAF (0.45) BRAFKDRPDGFRBCYP3A4LCK
SCHEMBL5430187 0.87 KDR (0.48) BRAFKDRPDGFRBCYP3A4LCK
SCHEMBL545184 0.81 BRAF (0.45) BRAFEGFRKDRPDGFRBCYP3A4
SCHEMBL545732 0.81 BRAF (0.47) BRAFKDRPDGFRBCYP3A4LCK
SCHEMBL5435304 0.79 RAF1 (0.48) BRAFKDRPDGFRBCYP3A4LCK
SCHEMBL545363 0.79 BRAF (0.46) BRAFKDRPDGFRBCYP3A4LCK
SCHEMBL5432105 0.78 KDR (0.50) BRAFKDRPDGFRBCYP3A4LCK
SCHEMBL5430237 0.78 BRAF (0.49) BRAFKDRPDGFRBCYP3A4LCK
SCHEMBL5424105 0.76 RAF1 (0.61) BRAFKDRPDGFRBLCKFYN
SCHEMBL5425786 0.75 KDR (0.48) BRAFKDRLCKKITMAPK14

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 BRAF 215/4885EGFR 546/4885KDR 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.