SCHEMBL545588

SCHEMBL545588

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(CN4CCN(C)CC4)c(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.80
RAF1 P04049 5/20 0.80
SRC P12931 5/20 0.73
MAPK14 Q16539 3/20 0.57
MAP3K20 Q9NYL2 1/20 0.57
ABL1 P00519 6/20 0.56
NTRK1 P04629 2/20 0.56
TEK Q02763 1/20 0.56
NTRK2 Q16620 1/20 0.56
EGFR P00533 2/20 0.56
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
CDK8 P49336 1/20 0.51
NTRK3 Q16288 1/20 0.49
BCR P11274 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL545615 0.95 BRAF (0.81) BRAFRAF1SRCMAPK14MAP3K20
SCHEMBL10200309 0.93 BRAF (0.78) BRAFRAF1SRCMAPK14MAP3K20
SCHEMBL545427 0.89 RAF1 (1.00) BRAFRAF1SRCMAPK14MAP3K20
SCHEMBL546225 0.88 BRAF (0.62) BRAFRAF1SRCABL1NTRK1
SCHEMBL5430584 0.88 RAF1 (0.85) BRAFRAF1SRCMAPK14MAP3K20
SCHEMBL545691 0.86 BRAF (0.80) BRAFRAF1SRCMAPK14KDR
SCHEMBL545253 0.85 BRAF (0.58) BRAFRAF1SRCABL1NTRK1
SCHEMBL546346 0.85 RAF1 (1.00) BRAFRAF1SRCMAPK14MAP3K20
SCHEMBL19911112 0.85 SRC (1.00) BRAFRAF1SRCMAPK14MAP3K20
SCHEMBL545580 0.83 BRAF (0.63) BRAFRAF1SRCABL1BCR

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 6 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-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 198/4885SRC 180/4885

“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.