SCHEMBL545184

SCHEMBL545184

CN1CCN(Cc2cnc(-c3cc(Oc4ccc5ccc(C(=O)Nc6cccc(C(C)(C)C)c6)cc5c4)ccn3)[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.45
CYP3A4 P08684 3/20 0.45
PDGFRB P09619 3/20 0.45
LCK P06239 2/20 0.45
FYN P06241 2/20 0.45
KIT P10721 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
KDR P35968 2/20 0.45
RAF1 P04049 2/20 0.44
MAPK14 Q16539 1/20 0.44
EGFR P00533 1/20 0.42
ABL1 P00519 2/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
SYK P43405 1/20 0.41
DDR1 Q08345 1/20 0.40
DDR2 Q16832 1/20 0.40

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
SCHEMBL5430343 0.93 RAF1 (0.44) BRAFCYP3A4PDGFRBLCKFYN
SCHEMBL545139 0.88 RAF1 (0.49) BRAFCYP3A4PDGFRBLCKFYN
SCHEMBL5438967 0.83 RAF1 (0.47) BRAFCYP3A4PDGFRBLCKFYN
SCHEMBL5432105 0.81 KDR (0.50) BRAFCYP3A4PDGFRBLCKFYN
SCHEMBL545651 0.81 BRAF (0.46) BRAFCYP3A4PDGFRBLCKFYN
SCHEMBL5418775 0.81 BRAF (0.52) BRAFPDGFRBLCKFYNKIT
SCHEMBL546141 0.81 BRAF (0.43) BRAFCYP3A4PDGFRBLCKFYN
SCHEMBL5435304 0.79 RAF1 (0.48) BRAFCYP3A4PDGFRBLCKFYN
SCHEMBL545127 0.78 BRAF (0.54) BRAFPDGFRBLCKFYNKIT
SCHEMBL545932 0.78 BRAF (0.49) BRAFPDGFRBLCKFYNKIT

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 215/4885CYP3A4 3260/4885PDGFRB 1729/4885

“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.