SCHEMBL4242115

SCHEMBL4242115

CC(=O)OC[C@@H](Nc1[nH]nc(-c2ccc(F)cc2)c1-c1n[nH]c(=O)cc1-c1ccccc1C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
MAPK1 P28482 8/20 0.33
RAB9A P51151 1/20 0.33
CCNE2 O96020 4/20 0.32
CDK4 P11802 4/20 0.32
CCND1 P24385 4/20 0.32
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
PDGFRB P09619 2/20 0.32
CDK8 P49336 2/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK2 Q16620 2/20 0.32
AURKB Q96GD4 2/20 0.32
MET P08581 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HPGDS O60760 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4760396 0.79 MAPK11 (0.48) MAPTMEN1KMT2AMAPK14
SCHEMBL4760399 0.79 MAPK11 (0.48) MAPTMEN1KMT2AMAPK14
SCHEMBL4760390 0.79 MAPK11 (0.48) MAPTMEN1KMT2AMAPK14
SCHEMBL11632009 0.62 PDE3B (0.56) MAPTPDGFRBCDK8NTRK3NTRK2
SCHEMBL11393582 0.61 PDE3B (0.55) MAPTPDGFRBCDK8NTRK3NTRK2
SCHEMBL4245941 0.61 MAPK11 (0.54) MAPTMAPK1MAPK14
SCHEMBL11115277 0.60 CDK8 (0.56) MAPTRAB9APDGFRBCDK8NTRK3
SCHEMBL11403955 0.59 HRH3 (0.50) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL4672056 0.58 MAPK14 (0.51) MAPK14
SCHEMBL7145484 0.58 CDK4 (0.68) MAPTRAB9ACCNE2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 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 (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-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN HRH2, OPRD1, HRH4 MAPT 4014/4885MAPK1 809/4885RAB9A 2160/4885

“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.