SCHEMBL10041274

SCHEMBL10041274

CC(C)(C)c1nc2ccccc2n1-c1cc(F)cc(-n2c(C(C)(C)C)nc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.41
CNR2 P34972 2/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
CACNG2 Q9Y698 1/20 0.39
NOS2 P35228 1/20 0.38
SLC22A12 Q96S37 3/20 0.38
GSR P00390 2/20 0.38
PIK3CB P42338 1/20 0.36
ADORA2A P29274 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL10041258 0.86 MAPK1 (0.49) MAPK1HTTCNR2NOS2SLC22A12
SCHEMBL10041276 0.85 GSR (0.52) MAPK1HTTGSRPIK3CBADORA2A
SCHEMBL10041284 0.82 MAPK1 (0.53) MAPK1HTTCNR2SLC22A12GSR
SCHEMBL12026134 0.82 MAPK1 (0.61) MAPK1HTTCNR2SLC22A12GSR
SCHEMBL10041275 0.81 MAPK1 (0.42) MAPK1HTTCNR2SLC22A12GSR
SCHEMBL63683 0.81 SLC22A12 (0.46) MAPK1HTTCNR2SLC22A12ADORA2A
SCHEMBL23251179 0.79 CNR2 (0.42) MAPK1HTTCNR2SLC22A12ADORA2A
SCHEMBL12887909 0.78 MAPK1 (0.41) MAPK1HTTCNR2NOS2SLC22A12
SCHEMBL20286689 0.77 MAPK1 (0.50) MAPK1HTTCNR2GRIA1CACNG8
SCHEMBL25878198 0.77 MAPK1 (0.46) MAPK1HTTCNR2SLC22A12GSR

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 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.