SCHEMBL566167

SCHEMBL566167

O=C1C(=CCl)CSc2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
CSNK2A1 P68400 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
NOTUM Q6P988 1/20 0.42
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MIF P14174 1/20 0.38
CTSL P07711 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL566166 1.00 AURKA (0.44) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL566622 1.00 AURKA (0.44) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL567134 0.86 NOTUM (0.46) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL567133 0.86 NOTUM (0.46) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL10031344 0.86 NOTUM (0.46) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL567348 0.84 NOTUM (0.42) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL567350 0.84 NOTUM (0.42) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL16138598 0.84 NOTUM (0.42) AURKACHEK2CDK1PIM1FGFR1
SCHEMBL567151 0.83 KDM4E (0.55) MAOBKDM4EMIFALDH1A1MAPT
SCHEMBL567153 0.83 KDM4E (0.55) MAOBKDM4EMIFALDH1A1MAPT

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-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP claimed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP claimed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US claimed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 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 (2 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-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, NRDC, SOST AURKA 3853/4885CHEK2 4280/4885CDK1 1911/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC AURKA 413/4885CHEK2 639/4885CDK1 214/4885

“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.