SCHEMBL545528

SCHEMBL545528

CC(C)(C)c1ccc(F)c(NC(=O)N2CCc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 5/20 0.41
KDR P35968 10/20 0.40
BRAF P15056 6/20 0.40
MAPK14 Q16539 3/20 0.39
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5426991 0.87 KDR (0.42) MOGAT2KDRBRAFMAPK14CYP3A4
SCHEMBL545003 0.83 ABL1 (0.47) MOGAT2KDRBRAFMAPK14
SCHEMBL545000 0.81 BRAF (0.44) MOGAT2KDRBRAFCYP3A4
SCHEMBL545457 0.78 KDR (0.49) KDRBRAFMAPK14
SCHEMBL546196 0.75 BRAF (0.54) KDRBRAF
SCHEMBL5416318 0.73 NFKB1 (0.46) KDRBRAFMAPK14NPC1RAB9A
SCHEMBL5417651 0.73 BRAF (0.54) KDRBRAFCYP3A4NPC1RAB9A
SCHEMBL10199947 0.72 BRAF (0.47) KDRBRAF
SCHEMBL5419921 0.71 NPC1 (0.48) KDRBRAFMAPK14NPC1RAB9A
SCHEMBL545055 0.70 RAF1 (0.45) KDRBRAFCYP3A4NPC1RAB9A

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 MOGAT2 2524/4885KDR 1264/4885BRAF 215/4885

“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.