Sugi Predict

Sugi Predict / Compounds / SCHEMBL3989068

SCHEMBL3989068

SCHEMBL3989068

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3cc(F)c(Cl)cc3Cl)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.55
▸ RAF1 P04049 7/20 0.55
▸ RET P07949 4/20 0.47
▸ KDR P35968 8/20 0.44
▸ ABL1 P00519 3/20 0.43
▸ EPHA2 P29317 3/20 0.43
▸ MAPK14 Q16539 3/20 0.43
▸ MAP3K20 Q9NYL2 3/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ RIPK2 O43353 2/20 0.43
▸ ABCB11 O95342 2/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ KIT P10721 2/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ FLT1 P17948 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ EPHA1 P21709 2/20 0.43

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
SCHEMBL5116608 0.95 BRAF (0.55) BRAFRAF1RETKDRABL1
SCHEMBL5123391 0.88 RAF1 (0.53) BRAFRAF1RETKDRDDR2
SCHEMBL14266587 0.88 BRAF (0.53) BRAFRAF1RETKDRDDR2
SCHEMBL14266605 0.88 BRAF (0.55) BRAFRAF1RETKDRABL1
SCHEMBL14266575 0.87 BRAF (0.54) BRAFRAF1RETKDRDDR2
SCHEMBL3985943 0.87 BRAF (0.56) BRAFRAF1RETKDRABL1
SCHEMBL3991170 0.86 BRAF (0.51) BRAFRAF1RETKDRABL1
SCHEMBL14266598 0.86 BRAF (0.55) BRAFRAF1RETKDRABL1
SCHEMBL3992255 0.85 BRAF (0.53) BRAFRAF1RETKDRABL1
SCHEMBL5128961 0.84 RAF1 (0.57) BRAFRAF1RETKDRABL1

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
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 — — EP disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 — — US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 — — US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 — — US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 — — WO disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 — — 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 BRAF 242/4885RAF1 251/4885RET 491/4885

“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.