SCHEMBL20973055

SCHEMBL20973055

CS(=O)(=O)Nc1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.45
▸ HDAC1 Q13547 12/20 0.43
▸ HDAC6 Q9UBN7 9/20 0.43
▸ HDAC2 Q92769 8/20 0.42
▸ HDAC3 O15379 7/20 0.42
▸ HDAC4 P56524 7/20 0.42
▸ HDAC7 Q8WUI4 7/20 0.42
▸ HDAC10 Q969S8 7/20 0.42
▸ HDAC11 Q96DB2 7/20 0.42
▸ HDAC8 Q9BY41 7/20 0.42
▸ HDAC9 Q9UKV0 7/20 0.42
▸ HDAC5 Q9UQL6 7/20 0.42
▸ YTHDC1 Q96MU7 4/20 0.39
▸ CHKA P35790 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 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
SCHEMBL19575481 0.90 HDAC1 (0.41) NT5EHDAC1HDAC6HDAC2HDAC3
SCHEMBL19575685 0.89 HDAC1 (0.42) NT5EHDAC1HDAC6HDAC2HDAC3
SCHEMBL20973069 0.89 HDAC1 (0.39) NT5EHDAC1HDAC6HDAC2HDAC3
SCHEMBL19575675 0.88 HDAC1 (0.46) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL19575684 0.87 HDAC1 (0.42) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL20973044 0.87 JAK2 (0.38) NT5EHDAC1HDAC6HDAC2HDAC3
SCHEMBL19574996 0.87 HDAC1 (0.44) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL19575485 0.87 HDAC1 (0.42) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL19575514 0.86 HDAC1 (0.44) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL19574919 0.85 HDAC1 (0.46) NT5EHDAC1HDAC6HDAC2HDAC3

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 3 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-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 NT5E 849/4885HDAC1 1343/4885HDAC6 2991/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 NT5E 849/4885HDAC1 1343/4885HDAC6 2991/4885

“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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