SCHEMBL77976

SCHEMBL77976

Nc1ccc(N2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.59
L3MBTL1 Q9Y468 11/20 0.59
MBTD1 Q05BQ5 3/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL16206958 0.87 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1ALDH1A1MAPT
SCHEMBL16195572 0.86 MAPT (0.50) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL2236451 0.86 L3MBTL3 (0.81) L3MBTL3L3MBTL1MBTD1ALDH1A1MAPT
SCHEMBL3575178 0.84 L3MBTL3 (0.79) L3MBTL3L3MBTL1MBTD1ALDH1A1MAPT
SCHEMBL77669 0.84 L3MBTL3 (0.79) L3MBTL3L3MBTL1MBTD1ALDH1A1MAPT
SCHEMBL23122811 0.84 LGMN (0.54) L3MBTL3L3MBTL1MBTD1MAPTNPC1
SCHEMBL29745213 0.84 LGMN (0.54) L3MBTL3L3MBTL1MBTD1MAPTNPC1
SCHEMBL521012 0.84 AOC3 (0.55) L3MBTL3L3MBTL1MBTD1ALDH1A1KMT2A
SCHEMBL12082369 0.83 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1ALDH1A1MAPT
SCHEMBL578207 0.83 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1KMT2AMEN1

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
WO-2023011299-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
CN-114213400-B Thiophene-containing pyrimidine compound and preparation method and application thereof 贵州大学 2022-11-08 CN disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
WO-2008077885-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-03 WO disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 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 (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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 L3MBTL3 3681/4885L3MBTL1 2799/4885MBTD1 892/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK L3MBTL3 3441/4885L3MBTL1 3154/4885MBTD1 2833/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK L3MBTL3 3441/4885L3MBTL1 3154/4885MBTD1 2833/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK L3MBTL3 3441/4885L3MBTL1 3154/4885MBTD1 2833/4885

“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.