SCHEMBL20946408

SCHEMBL20946408

CC(C)CCc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA4 P22748 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ CTSL P07711 3/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34

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
SCHEMBL19575577 0.93 HDAC1 (0.38) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL20946431 0.91 HDAC1 (0.39) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL20974979 0.89 NAMPT (0.37) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL20946421 0.88 HDAC1 (0.39) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL19575400 0.88 HDAC1 (0.40) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL20975040 0.88 NAMPT (0.37) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL20946396 0.87 NAMPT (0.39) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL19575754 0.87 HDAC1 (0.39) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL20946458 0.87 CTSL (0.39) HDAC1HDAC6MEN1KMT2ANAMPT
SCHEMBL20974973 0.86 HDAC1 (0.38) HDAC1HDAC6MEN1KMT2ANAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 — — US disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 — — US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — 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 (2 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 HDAC1 1343/4885HDAC6 2991/4885HTT 4658/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 HDAC1 1343/4885HDAC6 2991/4885HTT 4658/4885

“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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