SCHEMBL4934839

SCHEMBL4934839

C=CC(N)Nc1cccc(Nc2ncco2)c1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
ROCK1 Q13464 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
ITK Q08881 1/20 0.30

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
SCHEMBL544111 0.75 MEN1 (0.50) FADS1HTR3EHTR3BHTR3AROCK1
SCHEMBL720796 0.73 PLA2G7 (0.45)
SCHEMBL543776 0.72 KMT2A (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK1
SCHEMBL544521 0.72 KIF11 (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK1
SCHEMBL4532117 0.72 EGFR (0.50)
SCHEMBL4934858 0.72 FADS1 (0.30) FADS1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6253671 0.71 IDO1 (0.44) FADS1
SCHEMBL543837 0.70 HDAC3 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL729232 0.70 FLT1 (0.46) CSNK2A1ROCK1
SCHEMBL6237657 0.70 AURKA (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146585-A1 Use Of C-Kit Inhibitors For Treating Inflammatory Muscle Disorders Including Myositis And Muscular Dystrophy AB SCIENCE 2008-06-19 US disclosed
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases AB SCIENCE (FR) 2008-01-03 US disclosed
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons MOUSSY ALAIN 2007-10-25 US disclosed
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis AB SCIENCE 2007-09-27 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 (4 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-20080146585-A1 Use Of C-Kit Inhibitors For Treating Inflammatory Muscle Disorders Including Myositis And Muscular Dystrophy KIT, CPA3, CMA1 FADS1 4619/4885CSNK2A2 588/4885CSNK2B 395/4885
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis KIT, CPA3, CMA1 FADS1 4616/4885CSNK2A2 1272/4885CSNK2B 920/4885
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases KIT, JAK3, MAP3K3 FADS1 4805/4885CSNK2A2 1160/4885CSNK2B 988/4885
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons KIT, CPA3, CMA1 FADS1 3938/4885CSNK2A2 1189/4885CSNK2B 982/4885

“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.