SCHEMBL23618826

SCHEMBL23618826

O=C(O)c1cnc(Cl)nc1NC12CC3CC(C1)C(=O)C(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ MAPK8 P45983 4/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ KMT2A Q03164 1/20 0.32
▸ PABPC1 P11940 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL31612044 0.88 MAPK8 (0.46) MAPK8MAPK9GSK3AGSK3BHDAC3
SCHEMBL24786349 0.84 SYK (0.44) EPHX2MAPK8KMT2ACNR2
SCHEMBL23618787 0.79 GSK3A (0.49) MAPK8MAPK9GSK3AGSK3B
SCHEMBL23618743 0.78 — —
SCHEMBL16932224 0.76 MAPK8 (0.60) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL23625491 0.75 MAPK8 (0.34) MAPK8MAPK9
SCHEMBL23618681 0.74 — —
SCHEMBL23618686 0.74 GSK3A (0.37) MAPK8MAPK9GSK3AGSK3B
SCHEMBL31465472 0.72 IRAK4 (0.32) MAPK8MAPK9GSK3AGSK3B
SCHEMBL31612079 0.71 SYK (0.49) MAPK8MAPK9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402920-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2022-12-22 — — US 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 EPHX2 1823/4885MAPK8 1096/4885MAPK9 1207/4885

“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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