SCHEMBL25027331

SCHEMBL25027331

COC(=O)C(C(C)C)n1cc(I)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ACHE P22303 8/20 0.35
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29587561 0.84 ACHE (0.35) ACHEIDH1IDH2NPC1RAB9A
SCHEMBL2749765 0.84 ACHE (0.35) ACHEIDH1IDH2NPC1RAB9A
SCHEMBL25027328 0.83 KDM4E (0.39) KDM4EACHEJAK2JAK1TYK2
SCHEMBL29248409 0.73 ADAMTS4 (0.38) ACHE
SCHEMBL22531282 0.71 ALDH1A1 (0.40) KDM4EACHE
SCHEMBL22531284 0.71 ALDH1A1 (0.40) KDM4EACHE
SCHEMBL21979470 0.70
SCHEMBL17480827 0.69 JAK2 (0.36) ACHEIDH1IDH2JAK2JAK1
SCHEMBL17476836 0.69 JAK2 (0.36) ACHEIDH1IDH2JAK2JAK1
SCHEMBL17476841 0.69 JAK2 (0.36) ACHEIDH1IDH2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2025-05-29 US disclosed
CN-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 CN disclosed
EP-4385985-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 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-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, BCKDK, CYP11B2 KDM4E 2045/4885ACHE 4037/4885IDH1 317/4885

“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.