SCHEMBL22471328

SCHEMBL22471328

CN1CC2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.67
LMNA P02545 2/20 0.60
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.54
ADRB1 P08588 1/20 0.54
CRBN Q96SW2 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL10036165 0.93 SIRT6 (0.65) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL13247587 0.89 SIRT6 (0.73) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL10035912 0.87 SIRT6 (0.65) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL22175056 0.86 SIRT6 (0.63) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL21526639 0.83 SIRT6 (0.52) SIRT6LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL22466180 0.83 MAPT (0.57) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL25366550 0.82 SIRT6 (0.67) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL21855242 0.81 MAPT (0.53) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL447471 0.80 SIRT6 (1.00) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL21526328 0.80 SIRT6 (0.64) SIRT6LMNAMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142748-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-07-04 CN disclosed
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-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-10-13 US disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 US disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 EP 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

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-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor WEE1, WEE2, WASF2 SIRT6 1389/4885LMNA 3436/4885MAPT 4504/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 SIRT6 1996/4885LMNA 1570/4885MAPT 25/4885

“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.