SCHEMBL25877827

SCHEMBL25877827

CC(C)(C)c1nc(-c2ccccc2C(C)(C)C)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PRNP P04156 2/20 0.39
CCNE2 O96020 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 1/20 0.38
CYP1A2 P05177 2/20 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
SCHEMBL19161955 0.84 ALDH1A1 (0.44) ADORA2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL18232172 0.84 ALDH1A1 (0.44) ADORA2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL16520903 0.80 ADORA2A (0.55) ADORA2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL19161957 0.79 ALDH1A1 (0.40) ADORA2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL18232171 0.77 ADORA2A (0.51) ADORA2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL27741242 0.76 SMN1; SMN2 (0.46) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL31003504 0.75 ADORA2A (0.51) ADORA2AALDH1A1LMNACYP1A2CYP2D6
SCHEMBL25877803 0.74 TNKS (0.51) ADORA2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL24027454 0.73 L3MBTL1 (0.57) ALDH1A1MAPTLMNAL3MBTL1GAA
SCHEMBL25878186 0.73 ADORA2A (0.60) ADORA2AALDH1A1

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 139/4885ALDH1A1 213/4885MAPT 1215/4885

“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.