SCHEMBL23618785

SCHEMBL23618785

CCOC(=O)c1cnc(Cl)nc1NC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 6/20 0.44
▸ GSK3B P49841 5/20 0.44
▸ SYK P43405 3/20 0.44
▸ AURKA O14965 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NR2F2 P24468 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ XBP1 P17861 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
SCHEMBL23618678 0.90 SYK (0.45) SYKKDM4EMAPTNR2F2NPSR1
SCHEMBL24786905 0.88 SYK (0.42) SYKKDM4EMAPTNR2F2NPSR1
SCHEMBL31612079 0.87 SYK (0.49) SYKKDM4EMAPTNR2F2NPSR1
SCHEMBL31465569 0.84 SYK (0.47) SYKKDM4EMAPTNR2F2NPSR1
SCHEMBL24786348 0.84 SYK (0.44) GSK3AGSK3BSYKKDM4EMAPT
SCHEMBL30236562 0.84 SYK (0.44) GSK3AGSK3BSYKKDM4EMAPT
SCHEMBL28667854 0.84 SYK (0.44) GSK3AGSK3BSYKKDM4EMAPT
SCHEMBL28667855 0.84 SYK (0.44) GSK3AGSK3BSYKKDM4EMAPT
SCHEMBL23618787 0.84 GSK3A (0.49) GSK3AGSK3BAURKAADORA3ADORA1
SCHEMBL24786349 0.82 SYK (0.44) SYKKDM4EMAPTNR2F2NPSR1

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 GSK3A 754/4885GSK3B 729/4885SYK 1822/4885

“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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