SCHEMBL20974552

SCHEMBL20974552

Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.39
▸ HDAC6 Q9UBN7 12/20 0.39
▸ HDAC3 O15379 11/20 0.39
▸ HDAC4 P56524 11/20 0.39
▸ HDAC7 Q8WUI4 11/20 0.39
▸ HDAC2 Q92769 11/20 0.39
▸ HDAC10 Q969S8 11/20 0.39
▸ HDAC11 Q96DB2 11/20 0.39
▸ HDAC8 Q9BY41 11/20 0.39
▸ HDAC9 Q9UKV0 11/20 0.39
▸ HDAC5 Q9UQL6 11/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA12 O43570 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
SCHEMBL19575400 0.94 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19575382 0.93 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19575752 0.92 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20975036 0.90 CYP19A1 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20974949 0.90 NAMPT (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20972941 0.89 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19574996 0.89 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20973927 0.89 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20975096 0.88 NAMPT (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20974951 0.88 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7

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-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

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 2991/4885HDAC3 1640/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 HDAC1 1343/4885HDAC6 2991/4885HDAC3 1640/4885

“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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