SCHEMBL26029366

SCHEMBL26029366

C/N=C\c1c(C)ccc2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ADRA2A P08913 4/20 0.34
▸ ADRA2C P18825 4/20 0.34
▸ ADRA2B P18089 3/20 0.34
▸ ADRA1D P25100 3/20 0.34
▸ ADRA1A P35348 3/20 0.34
▸ ADRA1B P35368 3/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL18588507 0.81 KDM4E (0.35) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL19202284 0.75 KDM4E (0.33) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL20341618 0.71 ADRA2A (0.33) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL29463681 0.71 MAPT (0.50) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL87693 0.71 MAPT (0.50) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL30335572 0.71 MAPT (0.50) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL8085425 0.70 ADRA2A (0.47) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL812697 0.68 CCR1 (0.50) KDM4EADRA1DADRA1AADRA1BMEN1
SCHEMBL30716827 0.68 MAPT (0.48) KDM4EALDH1A1ADRA2AADRA2CADRA2B
SCHEMBL25669677 0.68 GRIN2D (0.33) KDM4EALDH1A1HPGD

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-20230242556-A1 NOVEL METHOD FOR MANUFACTURING DEUTERATED BORON COMPOUND SFC CO., LTD. (KR) 2023-08-03 — — 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-20230242556-A1 NOVEL METHOD FOR MANUFACTURING DEUTERATED BORON COMPOUND BCL6B, BRD7, DBF4 KDM4E 948/4885ALDH1A1 3057/4885ADRA2A 4022/4885

“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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