SCHEMBL24136727

SCHEMBL24136727

COc1c(O)c(C)c2c(c1Cl)CCNC2=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.37
▸ ACHE P22303 1/20 0.35
▸ IMPDH1 P20839 3/20 0.34
▸ PARP10 Q53GL7 5/20 0.33
▸ PARP11 Q9NR21 5/20 0.33
▸ PARP1 P09874 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ BRD4 O60885 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ CDC7 O00311 1/20 0.30

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
SCHEMBL24136595 0.83 ACHE (0.39) ACHEPARP10PARP11PARP1KDM4E
SCHEMBL24136647 0.79 PARP10 (0.35) IMPDH2PARP10PARP11PARP1KDM4E
SCHEMBL30046575 0.79 PARP10 (0.35) IMPDH2PARP10PARP11PARP1KDM4E
SCHEMBL24136677 0.76 ACHE (0.43) ACHEPARP10PARP11PARP1KDM4E
SCHEMBL30466416 0.76 ACHE (0.43) ACHEPARP10PARP11PARP1KDM4E
SCHEMBL30466436 0.74 ACHE (0.39) ACHEPARP10PARP11PARP1KDM4E
SCHEMBL24136596 0.74 ACHE (0.39) ACHEPARP10PARP11PARP1KDM4E
SCHEMBL24136634 0.73 ACHE (0.43) ACHEPARP10PARP11PARP1KDM4E
SCHEMBL24136746 0.70 MAOA (0.39) ACHEPARP10PARP11PARP1KDM4E
SCHEMBL23978726 0.68 PARP1 (0.41) ACHEPARP10PARP11PARP1KDM4E

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
CN-113423710-B Novel heterocyclic tricyclic derivative compounds and use thereof 韩美药品株式会社 2024-06-14 — — CN disclosed
US-20220135582-A1 NOVEL HETEROTRICYCLIC DERIVATIVE COMPOUND AND USE OF SAME HANMI PHARMACEUTICAL CO., LTD. (KR) 2022-05-05 — — US disclosed
EP-3929199-A1 NOVEL HETEROTRICYCLIC DERIVATIVE COMPOUND AND USE OF SAME Hanmi Pharmaceutical Co., Ltd. (KR) 2021-12-29 — — EP 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-20220135582-A1 NOVEL HETEROTRICYCLIC DERIVATIVE COMPOUND AND USE OF SAME EZH2, EZH1, BMI1 IMPDH2 3581/4885ACHE 4227/4885IMPDH1 3696/4885

“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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