SCHEMBL22179708

SCHEMBL22179708

Cc1ncnc2ccc(-c3cnc(NC(=O)N4C[C@@H](C)O[C@@H](C)C4)nc3-c3ccc(F)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC34A1 Q06495 1/20 0.40
▸ MAP4K4 O95819 2/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30738554 1.00 SLC34A1 (0.40) SLC34A1MAP4K4GRM2ALOX5APFEN1
SCHEMBL30738414 0.91 MAP4K4 (0.39) SLC34A1MAP4K4GRM2HDAC2HDAC1
SCHEMBL30738308 0.91 MAP4K4 (0.39) SLC34A1MAP4K4GRM2HDAC2HDAC1
SCHEMBL22179710 0.91 MAP4K4 (0.39) SLC34A1MAP4K4GRM2HDAC2HDAC1
SCHEMBL28591475 0.91 MAP4K4 (0.39) SLC34A1MAP4K4GRM2HDAC2HDAC1
SCHEMBL22179942 0.91 MAP4K4 (0.39) SLC34A1MAP4K4GRM2HDAC2HDAC1
SCHEMBL22179959 0.87 HDAC1 (0.46) MAP4K4GRM2HDAC2HDAC1DYRK1A
SCHEMBL30738352 0.87 HDAC1 (0.46) MAP4K4GRM2HDAC2HDAC1DYRK1A
SCHEMBL22180265 0.86 ABL1 (0.47) HDAC2HDAC1KCNH2
SCHEMBL30738323 0.86 ABL1 (0.47) HDAC2HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-23 — — US disclosed
CN-113166119-A Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-23 — — CN disclosed
WO-2020135210-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-07-02 — — 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-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF ADORA2A, ADORA1, ADORA3 SLC34A1 200/4885MAP4K4 4157/4885GRM2 3209/4885

“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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