SCHEMBL5635453

SCHEMBL5635453

O=C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.57
FLT1 P17948 7/20 0.57
BLM P54132 1/20 0.54
KCNJ5 P48544 1/20 0.54
KCNJ3 P48549 1/20 0.54
GRM4 Q14833 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDK1 Q15118 1/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49

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
SCHEMBL6030809 0.92 KDR (0.58) KDRFLT1BLMGRM4MEN1
SCHEMBL16628086 0.92 KDR (0.68) KDRFLT1BLMMEN1KMT2A
SCHEMBL3544690 0.90 RAF1 (0.61) KDRFLT1BLMKCNJ5KCNJ3
SCHEMBL5634874 0.85 RAF1 (0.61) KDRFLT1MEN1KMT2APDGFRB
SCHEMBL26546756 0.84 KDR (0.76) KDRKCNJ5KCNJ3GRM4MEN1
SCHEMBL3551571 0.82 KDR (0.62) KDRFLT1BLMGRM4MAPT
SCHEMBL3551573 0.82 KDR (0.62) KDRFLT1BLMGRM4MAPT
SCHEMBL16620661 0.79 KDR (0.72) KDRKCNJ5KCNJ3MEN1KMT2A
SCHEMBL5634693 0.79 RET (0.61) KDRFLT1MEN1KMT2APDGFRB
SCHEMBL3539364 0.78 RAF1 (0.74) KDRFLT1MEN1KMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641759-B1 MALONAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
EP-1641759-B1 MALONAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-20070213374-A1 Malonamide Derivatives MERCK PATENT GMBH (DE) 2007-09-13 US disclosed
US-20070213374-A1 Malonamide Derivatives MERCK PATENT GMBH (DE) 2007-09-13 US disclosed
US-20070213374-A1 Malonamide Derivatives MERCK PATENT GMBH (DE) 2007-09-13 US disclosed
EP-1641759-A2 MALONAMIDE DERIVATIVES MERCK PATENT GmbH (DE) 2006-04-05 EP disclosed
WO-2005005389-A2 MALONAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2005-01-20 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-20070213374-A1 Malonamide Derivatives RAF1, BRAF, ARAF KDR 1261/4885FLT1 521/4885BLM 3057/4885

“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.