SCHEMBL25878186

SCHEMBL25878186

CC(C)(C)c1nc(-c2ccc(F)cc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.60
SCN9A Q15858 10/20 0.52
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK14 Q16539 1/20 0.45
NUDT1 P36639 3/20 0.44

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
SCHEMBL18232171 0.89 ADORA2A (0.51) ADORA2AKDM4EALDH1A1NUDT1
SCHEMBL16520903 0.89 ADORA2A (0.55) ADORA2AKDM4EALDH1A1NUDT1
SCHEMBL25877803 0.86 TNKS (0.51) ADORA2ACNR1CNR2KDM4EALDH1A1
SCHEMBL18232158 0.80 ADORA2A (0.42) ADORA2AHTR2BKDM4EALDH1A1MAPK10
SCHEMBL22113578 0.79 ADORA2A (0.40) ADORA2AKDM4EALDH1A1NUDT1
SCHEMBL28872940 0.79 ADORA2A (0.66) ADORA2ASCN9AKDM4EALDH1A1MAPK10
SCHEMBL18232159 0.78 ADORA2A (0.46) ADORA2AKDM4EALDH1A1NUDT1
SCHEMBL26936075 0.78 ADORA2A (0.39) ADORA2AKDM4EALDH1A1NUDT1
SCHEMBL25054659 0.76 CCNE2 (0.46) ALDH1A1
SCHEMBL28232225 0.76 ADORA2A (0.67) ADORA2ASCN9AALDH1A1MAPK10MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM ADORA2A 139/4885SCN9A 1492/4885CNR1 4566/4885

“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.