SCHEMBL22471256

SCHEMBL22471256

O=[N+]([O-])c1ccc(N2CC3CCC(C2)N3)cc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
SIRT6 Q8N6T7 2/20 0.54
ADRB1 P08588 1/20 0.54
MAPT P10636 3/20 0.53
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL29581805 1.00 CHRNB4 (0.55) CHRNB4CHRNA3SIRT6ADRB1MAPT
Trifluoroacetic Acid SCHEMBL29580373 0.88 CHRNB4 (0.46) CHRNB4CHRNA3SIRT6ADRB1MAPT
SCHEMBL6716676 0.81 MAPT (0.58) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL1399606 0.80 HTT (0.61) CHRNB4CHRNA3SIRT6ADRB1MAPT
SCHEMBL1044823 0.80 HTT (0.61) CHRNB4CHRNA3SIRT6ADRB1MAPT
SCHEMBL1044822 0.80 HTT (0.61) CHRNB4CHRNA3SIRT6ADRB1MAPT
SCHEMBL6710563 0.77 MAPT (0.58) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL3549925 0.77 MAPT (0.58) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL12939934 0.77 MAPT (0.58) CHRNB4CHRNA3SIRT6ADRB1MAPT
SCHEMBL31481111 0.77 POLB (0.59) SIRT6ADRB1MAPTALDH1A1POLB

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 6 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

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 CHRNB4 4637/4885CHRNA3 4613/4885SIRT6 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.