SCHEMBL10035909

SCHEMBL10035909

O=[N+]([O-])c1ccc(N2CCC3(CCNCC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.71
ADRB1 P08588 1/20 0.71
USP2 O75604 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 2/20 0.57
CRBN Q96SW2 2/20 0.57
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
LMNA P02545 1/20 0.49
ESRRG P62508 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL30984901 0.91 SIRT6 (0.63) SIRT6ADRB1USP2CYP2D6MAPT
SCHEMBL30984718 0.88 SIRT6 (0.56) SIRT6ADRB1USP2CYP2D6MAPT
SCHEMBL30984953 0.87 SIRT6 (0.58) SIRT6ADRB1USP2CYP2D6MAPT
SCHEMBL21526328 0.86 SIRT6 (0.64) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL4290270 0.86 ESRRG (0.63) SIRT6ADRB1USP2CYP2D6MAPT
SCHEMBL4290276 0.86 ESRRG (0.63) SIRT6ADRB1USP2CYP2D6MAPT
SCHEMBL30984849 0.85 MEN1 (0.60) SIRT6ADRB1USP2CYP2D6MAPT
SCHEMBL30985131 0.85 SIRT6 (0.56) SIRT6ADRB1USP2CYP2D6MAPT
SCHEMBL30984674 0.84 MEN1 (0.62) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL7526992 0.84 SIRT6 (1.00) SIRT6ADRB1MAPTCRBNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO 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-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
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 EP disclosed
US-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-03-23 US 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-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 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-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor WEE1, WEE2, CCNE1 SIRT6 2154/4885ADRB1 3978/4885USP2 1488/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 SIRT6 1996/4885ADRB1 4072/4885USP2 1555/4885

“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.