SCHEMBL4550367

SCHEMBL4550367

CCN1CCN(C2CCOCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 10/20 0.38
ACHE P22303 3/20 0.37

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
SCHEMBL24485998 0.88 KMT2A (0.37) KMT2AHRH3ACHE
SCHEMBL7907325 0.84 KMT2A (0.49) KMT2AACHE
SCHEMBL4550237 0.84 SMN1; SMN2 (0.40) KMT2AHRH3
SCHEMBL7905712 0.83 KMT2A (0.50) KMT2AHRH3
SCHEMBL11919045 0.82 KMT2A (0.56) KMT2AACHE
SCHEMBL7907323 0.80 KMT2A (0.46) KMT2A
SCHEMBL23732169 0.80 KMT2A (0.46) KMT2AACHE
SCHEMBL3419403 0.79 PIK3CD (0.40) HRH3
SCHEMBL15768828 0.79 SMN1; SMN2 (0.41) KMT2AHRH3
SCHEMBL10310057 0.78 KMT2A (0.38) KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
WO-2020147802-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-23 WO disclosed
EP-2817309-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2018-06-20 EP disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US 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 (6 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB KMT2A 4144/4885HRH3 1988/4885ACHE 3688/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 KMT2A 4048/4885HRH3 800/4885ACHE 4195/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 KMT2A 2822/4885HRH3 3182/4885ACHE 112/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 KMT2A 585/4885HRH3 3397/4885ACHE 4617/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KMT2A 4343/4885HRH3 1195/4885ACHE 4441/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB KMT2A 4144/4885HRH3 1988/4885ACHE 3688/4885

“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.