SCHEMBL2102828

SCHEMBL2102828

COC(=O)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
MAPT P10636 9/20 0.69
ALDH1A1 P00352 8/20 0.69
KMT2A Q03164 3/20 0.69
GFER P55789 5/20 0.68
CASP6 P55212 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.61
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 6/20 0.53
KDM4E B2RXH2 3/20 0.53
ADRA2C P18825 1/20 0.53
PTK2B Q14289 1/20 0.53
ESR2 Q92731 1/20 0.53
LMNA P02545 5/20 0.53
ALOX12 P18054 2/20 0.51
HIF1A Q16665 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL23126532 0.86 CYP3A4 (0.74) L3MBTL1MAPTALDH1A1KMT2AGFER
SCHEMBL5544806 0.85 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1KMT2AGFER
SCHEMBL14220699 0.85 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1KMT2AGFER
SCHEMBL5544811 0.85 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1KMT2AGFER
SCHEMBL2581059 0.84 MAPT (0.75) L3MBTL1MAPTALDH1A1KMT2AGFER
SCHEMBL30230124 0.84 MAPT (0.75) L3MBTL1MAPTALDH1A1KMT2AGFER
SCHEMBL24518339 0.83 L3MBTL1 (0.71) L3MBTL1MAPTALDH1A1KMT2AGFER
SCHEMBL31147209 0.83 L3MBTL1 (0.71) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL22054784 0.83 CYP3A4 (0.74) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL13514054 0.83 GFER (0.62) L3MBTL1MAPTALDH1A1KMT2AGFER

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 40 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
WO-2022124748-A1 PYRAZOLOPYRIMIDINE SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PROPHYLAXIS OR TREATMENT OF CANCER-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2022-06-16 WO 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
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
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-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO 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
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 WO disclosed
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 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 (4 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 L3MBTL1 2316/4885MAPT 2360/4885ALDH1A1 4128/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK L3MBTL1 457/4885MAPT 470/4885ALDH1A1 4333/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 L3MBTL1 644/4885MAPT 634/4885ALDH1A1 4394/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 L3MBTL1 4000/4885MAPT 25/4885ALDH1A1 3670/4885

“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.