Sugi Predict

Sugi Predict / Compounds / SCHEMBL545934

SCHEMBL545934

SCHEMBL545934

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)OC3)ccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 16/20 0.75
▸ BRAF P15056 11/20 0.75
▸ KDR P35968 5/20 0.67
▸ RET P07949 3/20 0.67
▸ EPHX2 P34913 3/20 0.67
▸ RIPK2 O43353 2/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ HTR1A P08908 2/20 0.67
▸ PDGFRB P09619 2/20 0.67
▸ ADORA3 P0DMS8 2/20 0.67
▸ KIT P10721 2/20 0.67
▸ FGFR1 P11362 2/20 0.67
▸ PDGFRA P16234 2/20 0.67
▸ FLT1 P17948 2/20 0.67
▸ MAOA P21397 2/20 0.67
▸ EPHA1 P21709 2/20 0.67
▸ TBXA2R P21731 2/20 0.67
▸ EPHA2 P29317 2/20 0.67
▸ TTK P33981 2/20 0.67

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
SCHEMBL545894 0.88 BRAF (0.58) RAF1BRAFKDRRETEPHX2
SCHEMBL546346 0.86 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
SCHEMBL545926 0.86 RAF1 (0.75) RAF1BRAFKDRRETEPHX2
SCHEMBL545333 0.83 BRAF (0.54) RAF1BRAFKDRRETEPHX2
SCHEMBL545905 0.82 BRAF (0.55) RAF1BRAFKDRRETABL1
SCHEMBL6030121 0.81 RAF1 (0.89) RAF1BRAFKDRRETEPHX2
Sorafenib SCHEMBL29349634 0.81 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
Sorafenib SCHEMBL14739751 0.81 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
Sorafenib SCHEMBL8218 0.81 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
SCHEMBL545846 0.81 RAF1 (0.55) RAF1BRAFKDRFLT1

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 disclosed
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
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 215/4885KDR 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.