SCHEMBL13616659

SCHEMBL13616659

CN1C2CCC1CN(c1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SIRT6 Q8N6T7 2/20 0.58
▸ MAPT P10636 6/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL29580661 1.00 MEN1 (0.58) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL5832442 0.91 MEN1 (0.57) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL1571312 0.88 MEN1 (0.53) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL29581035 0.87 MEN1 (0.55) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL1042577 0.83 SIRT6 (0.58) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL1042578 0.83 SIRT6 (0.58) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL22471264 0.81 MEN1 (0.50) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL6716676 0.81 MAPT (0.58) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL10036155 0.80 SIRT6 (0.63) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL25170783 0.78 MAPT (0.54) MEN1KMT2ASIRT6MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 — — CN disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 — — US disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 — — EP disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 — — EP disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 — — WO disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 — — WO disclosed
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 — — 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-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 MEN1 500/4885KMT2A 2209/4885SIRT6 1996/4885

“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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