SCHEMBL12005663

SCHEMBL12005663

CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.63
LMNA P02545 1/20 0.57
HTR7 P34969 1/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 1/20 0.57
HTR1A P08908 2/20 0.56
POLB P06746 3/20 0.55
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL4507337 0.92 SIRT6 (0.60) SIRT6LMNAHTR7MAPTALDH1A1
SCHEMBL1045292 0.84 SIRT6 (0.69) SIRT6LMNAHTR7MAPTALDH1A1
SCHEMBL12431530 0.82 MAPT (0.70) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL9385628 0.81 HTR7 (0.53) SIRT6LMNAHTR7MAPTALDH1A1
SCHEMBL6945690 0.81 SIRT6 (0.65) SIRT6LMNAHTR7MAPTALDH1A1
SCHEMBL4820552 0.81 SIRT6 (0.64) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL4628534 0.81 SIRT6 (0.64) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL15599506 0.81 POLB (0.64) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL2717022 0.81 SIRT6 (0.64) SIRT6LMNAMAPTHTR1APOLB
SCHEMBL4248033 0.81 SIRT6 (0.64) SIRT6LMNAMAPTALDH1A1HTR1A

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 14 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
CN-113614087-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)股份有限公司 2021-11-05 CN disclosed
CN-112724144-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)有限公司 2021-04-30 CN 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-2017211216-A1 FUSED PYRIMIDINOPIPERIDINE DERIVATIVE, AND MANUFACTURING METHOD AND APPLICATION THEREOF 上海艾力斯医药科技有限公司 2017-12-14 WO disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 SIRT6 3016/4885LMNA 3229/4885HTR7 4221/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 SIRT6 1996/4885LMNA 1570/4885HTR7 4517/4885

“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.