SCHEMBL23618810

SCHEMBL23618810

CC(C)(C)OC(=O)C12CC3CC(CC(Nc4nc(Cl)ncc4C(=O)O)(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GSK3A P49840 4/20 0.35
▸ GSK3B P49841 4/20 0.35
▸ MAPK8 P45983 3/20 0.35
▸ STK17B O94768 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ CYP17A1 P05093 2/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ MAPK9 P45984 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL28667854 0.88 SYK (0.44) POLBKDM4EMEN1KMT2AUSP2
SCHEMBL30236562 0.88 SYK (0.44) POLBKDM4EMEN1KMT2AUSP2
SCHEMBL28667855 0.88 SYK (0.44) POLBKDM4EMEN1KMT2AUSP2
SCHEMBL24786348 0.88 SYK (0.44) POLBKDM4EMEN1KMT2AUSP2
SCHEMBL23618787 0.80 GSK3A (0.49) GSK3AGSK3BMAPK8MAPK9AURKA
SCHEMBL23618706 0.79 HSD11B1 (0.38) POLBSTK17BSTK17ACYP17A1CYP19A1
SCHEMBL31612044 0.77 MAPK8 (0.46) KMT2AGSK3AGSK3BMAPK8MAPK9
SCHEMBL24786905 0.77 SYK (0.42) POLBKDM4EMEN1KMT2AUSP2
SCHEMBL23618679 0.76 STK17B (0.37) STK17BSTK17ASYK
SCHEMBL23618826 0.72 EPHX2 (0.44) KMT2AGSK3AGSK3BMAPK8MAPK9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377676-A Crystalline forms of purine derivatives and pharmaceutical compositions thereof 成都百裕制药股份有限公司 2024-01-09 — — CN disclosed
CN-113121574-B Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2023-02-17 — — CN disclosed
WO-2023274310-A1 CRYSTAL FORM OF PURINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF 成都百裕制药股份有限公司 2023-01-05 — — WO disclosed
US-20220402920-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2022-12-22 — — US disclosed
CN-113121574-A Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2021-07-16 — — CN disclosed
WO-2021136463-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF 成都百裕制药股份有限公司 2021-07-08 — — 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 (1 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-20220402920-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF DPYD, PNP, TYMP POLB 85/4885KDM4E 1796/4885MEN1 2738/4885

“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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