SCHEMBL163898

SCHEMBL163898

COC(=O)CCCc1nnc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.56
KDR P35968 10/20 0.50
PDGFRB P09619 4/20 0.50
MAPT P10636 5/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 4/20 0.47
RAB9A P51151 1/20 0.47
KIT P10721 3/20 0.47
FLT3 P36888 3/20 0.47
MAPK14 Q16539 3/20 0.46
TNNI3K Q59H18 3/20 0.46
BRAF P15056 2/20 0.46
CSF1R P07333 2/20 0.46
FLT1 P17948 2/20 0.46
TEK Q02763 1/20 0.46
AURKB Q96GD4 3/20 0.46
JAK2 O60674 2/20 0.46
NTRK1 P04629 2/20 0.46

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
SCHEMBL165221 0.90 DDX3X (0.56) DDX3XKDRPDGFRBMAPTMEN1
SCHEMBL164623 0.87 KDM4E (0.54) DDX3XKDRPDGFRBMAPTNPC1
SCHEMBL164156 0.80 MAPT (0.52) KDRPDGFRBMAPTNPC1MEN1
SCHEMBL162028 0.79 DDX3X (0.52) DDX3XMAPTNPC1HTTRAB9A
SCHEMBL157991 0.79 DDX3X (0.58) DDX3XKDRMAPTNPC1MEN1
SCHEMBL158826 0.78 DGAT1 (0.56) KDRPDGFRBMAPTNPC1MEN1
SCHEMBL160332 0.77 KDM4E (0.59) DDX3XKDRNPC1MEN1KMT2A
SCHEMBL12059419 0.77 MAPT (0.61) KDRMAPTNPC1MEN1KMT2A
SCHEMBL158665 0.74 DGAT1 (0.57) KDRPDGFRBMAPTNPC1MEN1
SCHEMBL159777 0.73 NR1H4 (0.47) MAPTNPC1MEN1KMT2ARAB9A

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DDX3X 3177/4885KDR 4203/4885PDGFRB 4369/4885

“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.