SCHEMBL10041273

SCHEMBL10041273

CC(C)(C)c1nc2ccccc2n1-c1cccc(-n2c(C(C)(C)C)nc3cccnc32)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
PDE4D Q08499 7/20 0.46
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CNR2 P34972 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL10041265 0.92 PDE4B (0.52) PDE4BPDE4DAKT1AKT2AKT3
SCHEMBL10041258 0.88 MAPK1 (0.49) MAPK1HTTCNR2SLC22A12
SCHEMBL10041284 0.81 MAPK1 (0.53) MAPK1HTTTP53CNR2SLC22A12
SCHEMBL12026134 0.79 MAPK1 (0.61) MAPK1HTTPDE10ACNR2SLC22A12
SCHEMBL25878198 0.79 MAPK1 (0.46) MAPK1HTTTP53PDE10ACNR2
SCHEMBL10041264 0.78 BACE1 (0.35) PDE4BPDE4DHTR3EHTR3BHTR3A
SCHEMBL10041269 0.77 RPS6KB1 (0.43) MAPK1HTTCNR2SLC22A12
SCHEMBL14124470 0.76 MAPK1 (0.41) MAPK1HTTPDE10ACNR2SLC22A12
SCHEMBL23251179 0.75 CNR2 (0.42) MAPK1HTTCNR2HTR3ASLC22A12
SCHEMBL10041274 0.75 MAPK1 (0.43) MAPK1HTTCNR2SLC22A12

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-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 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-20070202357-A1 Organic electroluminescent element and compounds for use in the element RPL31, RPL38, RPL39 PDE4B 4561/4885PDE4D 4813/4885AKT1 3723/4885

“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.