SCHEMBL21958284

SCHEMBL21958284

C[C@@H]1Cn2ncc(I)c2CN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ GAA P10253 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
SCHEMBL21986932 1.00 MAPT (0.32) MAPTGAA
SCHEMBL17925845 1.00 MAPT (0.32) MAPTGAA
SCHEMBL21058321 0.86 MAPT (0.34) MAPTGAA
SCHEMBL28912802 0.86 MAPT (0.34) MAPTGAA
SCHEMBL21058323 0.82 MAPT (0.32) MAPTGAA
SCHEMBL28562895 0.82 MAPT (0.32) MAPTGAA
SCHEMBL17925541 0.81 HDAC1 (0.39) —
SCHEMBL21058306 0.80 TSHR (0.33) MAPT
SCHEMBL21058307 0.77 EGLN1 (0.30) —
SCHEMBL21058304 0.77 MAPT (0.31) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952305-B Piperazino heteroaryl derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-21 — — CN disclosed
US-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-02-15 — — US disclosed
EP-3660018-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-06-03 — — EP disclosed
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-05-21 — — US 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 (2 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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine IKZF2, WEE1, NOTUM MAPT 1482/4885GAA 1237/4885
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM MAPT 1482/4885GAA 1237/4885

“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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