SCHEMBL19553602

SCHEMBL19553602

CC(=O)OCCCCn1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 15/20 0.47
HSP90AA1 P07900 14/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC4 P56524 1/20 0.47
HSP90B1 P14625 1/20 0.45
TRAP1 Q12931 1/20 0.45

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
SCHEMBL19553462 0.89 CDK1 (0.53) HSP90AB1HSP90AA1
SCHEMBL19553607 0.88 CNR2 (0.40) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL19553815 0.88 CNR2 (0.42) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL19553686 0.85 CDK1 (0.49) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL9366819 0.83 MEN1 (0.56) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL19553675 0.83 CNR2 (0.37) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL9115728 0.82 HSP90AB1 (0.43) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL19553495 0.82 CNR2 (0.36) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL19553680 0.82 CNR2 (0.36) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL9116660 0.81 HSP90AB1 (0.46) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4

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 9 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
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
CN-109311882-B Adenine derivatives as protein kinase inhibitors BCI制药公司 2022-02-11 CN 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
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 EP 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 HSP90AB1 3089/4885HSP90AA1 3149/4885HDAC6 2991/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 HSP90AB1 3089/4885HSP90AA1 3149/4885HDAC6 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.