SCHEMBL10041258

SCHEMBL10041258

CC(C)(C)c1nc2ccccc2n1-c1cccc(-n2c(C(C)(C)C)nc3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
HTT P42858 1/20 0.49
CNR2 P34972 2/20 0.45
SLC22A12 Q96S37 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
GSR P00390 3/20 0.41
PPARG P37231 1/20 0.40
RPS6KB1 P23443 1/20 0.40
TSHR P16473 1/20 0.39
ADORA2A P29274 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NOS2 P35228 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10041284 0.93 MAPK1 (0.53) MAPK1HTTCNR2SLC22A12NR1H2
SCHEMBL12026134 0.90 MAPK1 (0.61) MAPK1HTTCNR2SLC22A12GSR
SCHEMBL25878198 0.90 MAPK1 (0.46) MAPK1HTTCNR2SLC22A12NR1H2
SCHEMBL10041273 0.88 PDE4B (0.46) MAPK1HTTCNR2SLC22A12
SCHEMBL10041269 0.88 RPS6KB1 (0.43) MAPK1HTTCNR2SLC22A12NR1H2
SCHEMBL14124470 0.87 MAPK1 (0.41) MAPK1HTTCNR2SLC22A12NR1H2
SCHEMBL23251179 0.86 CNR2 (0.42) MAPK1HTTCNR2SLC22A12NR1H2
SCHEMBL10041274 0.86 MAPK1 (0.43) MAPK1HTTCNR2SLC22A12GSR
SCHEMBL15446699 0.85 CNR2 (0.41) MAPK1HTTCNR2SLC22A12NR1H2
SCHEMBL12887909 0.84 MAPK1 (0.41) MAPK1HTTCNR2SLC22A12TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901539-B2 Organic electroluminescence device and luminescence apparatus UDC IRELAND LIMITED (IE) 2014-12-02 US disclosed
US-8901539-B2 Organic electroluminescence device and luminescence apparatus UDC IRELAND LIMITED (IE) 2014-12-02 US disclosed
US-8288763-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2012-10-16 US disclosed
US-8288763-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2012-10-16 US disclosed
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-20100140645-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2010-06-10 US disclosed
US-20100140645-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2010-06-10 US disclosed
US-20100140606-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND LUMINESCENCE APPARATUS FUJIFILM CORPORATION (JP) 2010-06-10 US disclosed
US-20100140606-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND LUMINESCENCE APPARATUS FUJIFILM CORPORATION (JP) 2010-06-10 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 MAPK1 1465/4885HTT 3850/4885CNR2 3289/4885

“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.