SCHEMBL25878198

SCHEMBL25878198

CC(C)(C)c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
SLC22A12 Q96S37 1/20 0.42
CNR2 P34972 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 3/20 0.39
PPARG P37231 1/20 0.39
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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 0.90 MAPK1 (0.49) MAPK1HTTSLC22A12CNR2KDM4E
SCHEMBL14124470 0.89 MAPK1 (0.41) MAPK1HTTSLC22A12CNR2ESR1
SCHEMBL15446699 0.87 CNR2 (0.41) MAPK1HTTSLC22A12CNR2ESR1
SCHEMBL20286689 0.87 MAPK1 (0.50) MAPK1HTTSLC22A12CNR2ESR1
SCHEMBL12026134 0.86 MAPK1 (0.61) MAPK1HTTSLC22A12CNR2ESR1
SCHEMBL25875043 0.85 ALDH1A1 (0.45) MAPK1HTTGAAKDM4EALDH1A1
SCHEMBL25878191 0.84 ALDH1A1 (0.44) MAPK1HTTSLC22A12GAAKDM4E
SCHEMBL25874359 0.84 SLC22A12 (0.42) MAPK1SLC22A12KDM4EALDH1A1LMNA
SCHEMBL10041284 0.83 MAPK1 (0.53) MAPK1HTTSLC22A12CNR2KDM4E
SCHEMBL26039809 0.83 PDE10A (0.35) MAPK1HTTSLC22A12CNR2ESR1

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 2 patents. 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
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 MAPK1 3137/4885HTT 3418/4885SLC22A12 2592/4885

“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.