SCHEMBL20973044

SCHEMBL20973044

Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ HDAC1 Q13547 10/20 0.38
▸ HDAC6 Q9UBN7 9/20 0.38
▸ HDAC3 O15379 7/20 0.38
▸ HDAC4 P56524 7/20 0.38
▸ HDAC7 Q8WUI4 7/20 0.38
▸ HDAC2 Q92769 7/20 0.38
▸ HDAC10 Q969S8 7/20 0.38
▸ HDAC11 Q96DB2 7/20 0.38
▸ HDAC8 Q9BY41 7/20 0.38
▸ HDAC9 Q9UKV0 7/20 0.38
▸ HDAC5 Q9UQL6 7/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ PDE8A O60658 2/20 0.37
▸ CHKA P35790 3/20 0.37
▸ NT5E P21589 1/20 0.36
▸ CA12 O43570 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
SCHEMBL20973069 0.96 HDAC1 (0.39) JAK2LTKJAK3HDAC1HDAC6
SCHEMBL26231020 0.91 YTHDC1 (0.45) JAK2LTKJAK3HDAC1HDAC6
SCHEMBL20973055 0.87 NT5E (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL26231043 0.87 HDAC3 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20975229 0.85 NAMPT (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL26231046 0.84 HDAC1 (0.36) JAK2LTKJAK3HDAC1HDAC6
SCHEMBL19575685 0.84 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19575481 0.84 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19575675 0.83 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19575480 0.83 CHKA (0.41) 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 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 JAK2 317/4885LTK 145/4885JAK3 471/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 JAK2 317/4885LTK 145/4885JAK3 471/4885

“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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