SCHEMBL855103

SCHEMBL855103

CCc1ccc(N(Cc2ccc(C(=O)N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.45
PDK4 Q16654 9/20 0.45
PDK1 Q15118 7/20 0.45
PDK3 Q15120 4/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL854399 0.89 SMN1; SMN2 (0.42)
SCHEMBL854758 0.89 SOAT2 (0.47)
SCHEMBL853667 0.88 UBE2M (0.49)
SCHEMBL855709 0.84 SOAT2 (0.50)
SCHEMBL856560 0.82 SMN1; SMN2 (0.46)
SCHEMBL855452 0.81 SOAT2 (0.46)
SCHEMBL855984 0.81 SOAT2 (0.47)
SCHEMBL854439 0.80 SOAT2 (0.47)
SCHEMBL855945 0.80 SOAT2 (0.47)
SCHEMBL854639 0.79 SOAT2 (0.46)

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-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 PDK2 4792/4885PDK4 4733/4885PDK1 4530/4885

“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.