SCHEMBL16824855

SCHEMBL16824855

O=C(O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.73
KMT2A Q03164 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
HTR1A P08908 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
SIRT6 Q8N6T7 1/20 0.58
MEN1 O00255 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL16222323 0.92 POLB (0.64) POLBKMT2ATDP1HTR1ASMN1; SMN2
SCHEMBL4400218 0.87 POLB (0.67) POLBKMT2ATDP1HTR1ASMN1; SMN2
SCHEMBL12439344 0.87 POLB (0.67) POLBKMT2ATDP1HTR1ASMN1; SMN2
SCHEMBL3393724 0.87 POLB (0.67) POLBKMT2ATDP1HTR1ASMN1; SMN2
SCHEMBL2111232 0.85 HTR1A (0.74) POLBKMT2AHTR1ASMN1; SMN2MAPT
SCHEMBL1812473 0.83 POLB (0.63) POLBKMT2ATDP1HTR1ASMN1; SMN2
SCHEMBL3440117 0.83 KMT2A (0.77) POLBKMT2ATDP1SMN1; SMN2MAPT
SCHEMBL7127825 0.83 HTR1A (0.67) POLBKMT2AHTR1ASMN1; SMN2LMNA
SCHEMBL22471249 0.83 POLB (0.63) POLBKMT2ATDP1HTR1ASMN1; SMN2
SCHEMBL2658558 0.83 POLB (0.56) POLBKMT2ASMN1; SMN2LMNAMAPT

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 13 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
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 POLB 1298/4885KMT2A 1696/4885TDP1 586/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 POLB 1559/4885KMT2A 2209/4885TDP1 367/4885

“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.