SCHEMBL25878270

SCHEMBL25878270

CC(C)(C)c1nc2ccccc2n1-c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
GSR P00390 2/20 0.51
TSHR P16473 2/20 0.43
HCAR1 Q9BXC0 2/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
TERT O14746 1/20 0.38
NPC1 O15118 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
SCHEMBL14124486 0.81 TSHR (0.45) CNR2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL14124469 0.81 TSHR (0.45) CNR2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL14124491 0.81 CNR2 (0.42) CNR2GSRTSHRMAPK1ALDH1A1
SCHEMBL14124493 0.81 CNR2 (0.42) CNR2GSRTSHRMAPK1ALDH1A1
SCHEMBL10041271 0.81 TSHR (0.42) CNR2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL10041277 0.81 MAPK1 (0.48) CNR2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL31259052 0.80 TSHR (0.68) CNR2GSRTSHRHCAR1MAPK1
SCHEMBL22219415 0.80 TSHR (0.68) CNR2GSRTSHRHCAR1MAPK1
SCHEMBL10041278 0.79 TSHR (0.41) CNR2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL25886744 0.79 MAPK1 (0.41) CNR2GSRTSHRMAPK1ALDH1A1

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 CNR2 4627/4885GSR 1831/4885TSHR 3868/4885

“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.