SCHEMBL80454

SCHEMBL80454

OCC#Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.41
KIF11 P52732 3/20 0.39
EGFR P00533 1/20 0.38
P2RY6 Q15077 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
AR P10275 1/20 0.35
VNN1 O95497 1/20 0.35
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
PTPN7 P35236 3/20 0.35
DUSP3 P51452 3/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
NOTUM Q6P988 1/20 0.34
PTGES O14684 1/20 0.33

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
SCHEMBL80226 0.88 KIF11 (0.47) MELKKIF11EGFRP2RY6ALDH1A1
SCHEMBL81135 0.81 MELK (0.47) MELKEGFRP2RY6ALDH1A1MMP2
SCHEMBL4927725 0.76 KIF11 (0.41) KIF11ARNOTUM
SCHEMBL30967278 0.76 KIF11 (0.41) KIF11ARNOTUM
SCHEMBL23139443 0.75 GRIK1 (0.43) KIF11ARVNN1NOTUM
SCHEMBL80540 0.75 EGFR (0.54) MELKEGFRALDH1A1GAAHTT
SCHEMBL23138673 0.73 SLC1A3 (0.37) KIF11ARVNN1NOTUM
SCHEMBL4620947 0.72 PTGES (0.38) KIF11ARVNN1PTGES
SCHEMBL185191 0.72 KIF11 (0.58) KIF11ARVNN1
SCHEMBL2140487 0.72 KIF11 (0.41) KIF11ARVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C MELK 783/4885KIF11 2343/4885EGFR 3860/4885

“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.