SCHEMBL25878173

SCHEMBL25878173

CC(C)(C)c1nc(-c2ccccc2)nc(-c2ccc(-c3cccnc3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.58
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2A6 P11509 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL24622779 0.97 KIF11 (0.54) KIF11MKNK1MKNK2SMN1; SMN2ALDH1A1
SCHEMBL25878078 0.94 ALDH1A1 (0.52) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL19977476 0.89 ALDH1A1 (0.53) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL25878006 0.87 L3MBTL1 (0.54) SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E
SCHEMBL19862827 0.87 L3MBTL1 (0.54) SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E
SCHEMBL19735249 0.87 L3MBTL1 (0.54) SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E
SCHEMBL19039937 0.87 CYP2A6 (0.62) KIF11MKNK1MKNK2SMN1; SMN2ALDH1A1
SCHEMBL17944660 0.87 CYP2A6 (0.62) KIF11MKNK1MKNK2SMN1; SMN2ALDH1A1
SCHEMBL2254917 0.87 CYP2A6 (0.62) KIF11MKNK1MKNK2SMN1; SMN2ALDH1A1
SCHEMBL23183931 0.86 KIF11 (0.47) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10

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 KIF11 3021/4885MKNK1 3630/4885MKNK2 3830/4885

“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.