SCHEMBL63683

SCHEMBL63683

CC(C)(C)c1nc2ccccc2n1-c1cc(C#N)cc(-n2c(C(C)(C)C)nc3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.46
RPS6KB1 P23443 2/20 0.42
GSK3B P49841 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
ADORA2A P29274 1/20 0.39
MAPK1 P28482 3/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 2/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL10041282 0.84 SLC22A12 (0.41) SLC22A12RPS6KB1GSK3BACSS2ADORA2A
SCHEMBL10041258 0.82 MAPK1 (0.49) SLC22A12RPS6KB1ADORA2AMAPK1HTT
SCHEMBL10041274 0.81 MAPK1 (0.43) SLC22A12ADORA2AMAPK1HTTCNR2
SCHEMBL10041276 0.79 GSR (0.52) ADORA2AMAPK1HTTTP53TSHR
SCHEMBL12026134 0.79 MAPK1 (0.61) SLC22A12RPS6KB1GSK3BMAPK1HTT
SCHEMBL10041275 0.78 MAPK1 (0.42) SLC22A12ADORA2AMAPK1HTTL3MBTL1
SCHEMBL12679893 0.76 KDM4E (0.40) SLC22A12RPS6KB1ADORA2AMAPK1HTT
SCHEMBL10041284 0.76 MAPK1 (0.53) SLC22A12MAPK1HTTTP53CNR2
SCHEMBL10041278 0.76 TSHR (0.41) SLC22A12RPS6KB1MAPK1HTTTP53
SCHEMBL23251179 0.75 CNR2 (0.42) SLC22A12ADORA2AMAPK1HTTCNR2

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 8 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-8129897-B2 Organic electroluminescence element FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129897-B2 Organic electroluminescence element FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090026939-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT UDC IRELAND LIMITED (IE) 2009-01-29 US disclosed
US-20090026939-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT UDC IRELAND LIMITED (IE) 2009-01-29 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 SLC22A12 871/4885RPS6KB1 2238/4885GSK3B 1669/4885

“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.