SCHEMBL10041264

SCHEMBL10041264

CC(C)(C)c1nc2ncccc2n1-c1cccc(-n2c(C(C)(C)C)nc3ncccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
KMT2A Q03164 3/20 0.35
SLC22A12 Q96S37 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
PDE2A O00408 2/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL15746018 0.89 BACE1 (0.42) BACE1KMT2ASLC22A12ADORA3NPC1
SCHEMBL10041273 0.78 PDE4B (0.46) SLC22A12HTR3EHTR3BHTR3AHTR3D
SCHEMBL14124487 0.77 IDO1 (0.41) BACE1KMT2ASLC22A12NPC1RAB9A
SCHEMBL14124471 0.77 IDO1 (0.41) BACE1KMT2ASLC22A12NPC1RAB9A
SCHEMBL10041258 0.76 MAPK1 (0.49) KMT2ASLC22A12KDM4EALDH1A1NR1H2
SCHEMBL10041272 0.76 BACE1 (0.43) BACE1KMT2ASLC22A12NPC1RAB9A
SCHEMBL10041265 0.76 PDE4B (0.52) KMT2AMEN1PDE4BPDE4D
SCHEMBL6489159 0.76 HTR3E (0.40) BACE1KMT2AADORA3NPC1RAB9A
SCHEMBL6489152 0.74 BACE1 (0.39) BACE1KMT2ASLC22A12ADORA3NPC1
SCHEMBL14336554 0.73 S1PR1 (0.41) BACE1KMT2ASLC22A12NPC1RAB9A

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 BACE1 2152/4885KMT2A 1256/4885SLC22A12 871/4885

“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.