SCHEMBL19575728

SCHEMBL19575728

Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCCc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 2/20 0.42
▸ PDE8A O60658 3/20 0.40
▸ TMIGD3 P0DMS9 3/20 0.39
▸ ADORA2A P29274 3/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HDAC1 Q13547 7/20 0.37
▸ HDAC2 Q92769 6/20 0.37
▸ HDAC3 O15379 5/20 0.37
▸ HDAC4 P56524 5/20 0.37
▸ HDAC7 Q8WUI4 5/20 0.37
▸ HDAC10 Q969S8 5/20 0.37
▸ HDAC11 Q96DB2 5/20 0.37
▸ HDAC8 Q9BY41 5/20 0.37
▸ HDAC6 Q9UBN7 5/20 0.37
▸ HDAC9 Q9UKV0 5/20 0.37
▸ HDAC5 Q9UQL6 5/20 0.37
▸ CA1 P00915 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
SCHEMBL19575745 0.90 HDAC1 (0.46) YTHDC1PDE8ATMIGD3ADORA2AADORA1
SCHEMBL19575673 0.90 HDAC1 (0.41) YTHDC1TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL20975209 0.83 TDP1 (0.42) ADORA2AADORA1
SCHEMBL19575675 0.83 HDAC1 (0.46) YTHDC1PDE8AHDAC1HDAC2HDAC3
SCHEMBL19575538 0.82 CHKA (0.42) YTHDC1PDE8AHDAC1HDAC2HDAC3
SCHEMBL19575629 0.81 SERPINA3 (0.42) TMIGD3ADORA2AADORA1ADORA2BHRH4
SCHEMBL19575370 0.81 ADORA2A (0.39) TMIGD3ADORA2AADORA1ADORA2BHDAC1
SCHEMBL19575676 0.81 PDE8A (0.41) YTHDC1PDE8AHDAC1HDAC2HDAC3
SCHEMBL20975130 0.81 HDAC1 (0.44) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL26225007 0.81 HDAC1 (0.36) YTHDC1PDE8AHDAC1HDAC2HDAC3

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 4 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
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 — — WO 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 YTHDC1 2334/4885PDE8A 704/4885TMIGD3 4632/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 YTHDC1 2334/4885PDE8A 704/4885TMIGD3 4632/4885

“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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