SCHEMBL20089623

SCHEMBL20089623

Clc1ccc2c(c1)-c1ncccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NR4A2 P43354 1/20 0.38
▸ PTAFR P25105 2/20 0.37
▸ S100A4 P26447 2/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36

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
SCHEMBL29395626 0.89 PDK2 (0.44) PDK2KMT2ACYP1A2CYP2C19NR4A2
SCHEMBL22609096 0.89 PDK2 (0.44) PDK2KMT2ACYP1A2CYP2C19NR4A2
SCHEMBL11990868 0.83 PDK2 (0.56) PDK2KMT2ACYP1A2CYP2C19S100A4
SCHEMBL30322608 0.83 PDK2 (0.56) PDK2KMT2ACYP1A2CYP2C19S100A4
SCHEMBL12685311 0.81 PDK2 (0.62) PDK2KMT2AS100A4MEN1LMNA
SCHEMBL32682807 0.81 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19S100A4
SCHEMBL29419598 0.81 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19S100A4
SCHEMBL5344736 0.81 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19S100A4
SCHEMBL29800749 0.81 PDK2 (0.62) PDK2KMT2AS100A4MEN1LMNA
SCHEMBL17816870 0.79 PDK2 (0.61) PDK2KMT2AS100A4MEN1LMNA

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-20180114922-A1 COMPOUND AND PREPARATION METHOD THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE BOE TECHNOLOGY GROUP CO. LTD. (CN) 2018-04-26 — — US disclosed
US-20180114922-A1 COMPOUND AND PREPARATION METHOD THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE BOE TECHNOLOGY GROUP CO. LTD. (CN) 2018-04-26 — — 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-20180114922-A1 COMPOUND AND PREPARATION METHOD THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE LEF1, TYR, LSS PDK2 1838/4885KMT2A 2144/4885CYP1A2 318/4885

“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.

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