SCHEMBL2105411

SCHEMBL2105411

COC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.75
ALDH1A1 P00352 10/20 0.75
LMNA P02545 5/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 2/20 0.62
HTT P42858 1/20 0.62
TP53 P04637 1/20 0.62
AKR1C3 P42330 1/20 0.62
SIRT6 Q8N6T7 1/20 0.60
MEN1 O00255 1/20 0.60
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL23967175 0.88 CYP3A4 (0.67) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL594206 0.85 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3044836 0.84 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL29057437 0.83 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2074819 0.83 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL27783156 0.83 AKR1C3 (0.85) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL24641954 0.82 MAPT (0.83) MAPTALDH1A1LMNASMN1; SMN2KMT2A
Ammonia Solution, Strong SCHEMBL27607455 0.82 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1393155 0.81 AKR1C3 (0.68) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL315992 0.81 ALDH1A1 (0.69) MAPTALDH1A1LMNASMN1; SMN2HTT

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 21 patents — showing the first 20. 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
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
US-10947238-B2 Wee1 kinase inhibitors and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-03-16 US disclosed
US-10947238-B2 Wee1 kinase inhibitors and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-03-16 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
CN-111718348-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)有限公司 2020-09-29 CN disclosed
US-20190084985-A1 WEE1 KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2019-03-21 US disclosed
EP-3368538-A2 WEE 1 KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME The Regents of The University of Colorado, A Body Corporate (US) 2018-09-05 EP disclosed
WO-2017075629-A2 WEE 1 KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-05-04 WO disclosed
WO-2017075629-A2 WEE 1 KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-05-04 WO disclosed
EP-2316459-B1 2,4-pyrimidinediamine compounds for use in methods of treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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 (3 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-10947238-B2 Wee1 kinase inhibitors and methods of making and using the same WEE1, WEE2, MAP3K15 MAPT 2360/4885ALDH1A1 4128/4885LMNA 2667/4885
US-20190084985-A1 WEE1 KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME WEE1, WEE2, MAP3K15 MAPT 2360/4885ALDH1A1 4128/4885LMNA 2667/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 MAPT 25/4885ALDH1A1 3670/4885LMNA 1570/4885

“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.