SCHEMBL3201557

SCHEMBL3201557

CC(C)(C)OC(=O)NCCNc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.50
BCHE P06276 1/20 0.48
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
IDO1 P14902 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LATS1 O95835 1/20 0.42
PTPN11 Q06124 1/20 0.42
BRD4 O60885 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL25719161 0.90 TDP1 (0.55) CA1CA2CA12CA9TDP1
SCHEMBL25719194 0.90 TDP1 (0.55) CA1CA2CA12CA9TDP1
SCHEMBL22644748 0.86 MALT1 (0.51) MALT1BCHECA1CA2CA12
SCHEMBL22645024 0.86 NAMPT (0.49) MALT1BCHECA1CA2CA12
SCHEMBL23099401 0.85 MALT1 (0.48) MALT1BCHECA1CA2CA12
SCHEMBL1686960 0.85 CA1 (0.51) MALT1CA1CA2CA12CA9
SCHEMBL16935831 0.85 MALT1 (0.50) MALT1BCHECA1CA2CA12
SCHEMBL4901469 0.85 FPR3 (0.55) MALT1BCHECA1CA2CA12
SCHEMBL22174752 0.85 BCHE (0.46) MALT1BCHECA1CA2CA12
SCHEMBL7203913 0.84 MALT1 (0.59) MALT1BCHECA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20220047709-A1 DEGRADERS OF WEE1 KINASE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 US disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
EP-3712150-A1 MACROCYCLIC COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATIONS THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2020-09-23 EP disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-9751892-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2017-09-05 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
US-6858616-B2 Nitrogen containing heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
EP-1140941-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-10-20 EP disclosed
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors FEVIG JOHN M (US) 2003-04-10 US disclosed
US-6413980-B1 INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-02 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-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors F12, F11, F10 MALT1 4860/4885BCHE 1497/4885CA1 795/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 MALT1 1031/4885BCHE 2642/4885CA1 3926/4885
US-20220047709-A1 DEGRADERS OF WEE1 KINASE WEE1, WEE2, PPME1 MALT1 3787/4885BCHE 1200/4885CA1 4448/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MALT1 469/4885BCHE 4433/4885CA1 4407/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 MALT1 1139/4885BCHE 2498/4885CA1 3179/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M MALT1 2037/4885BCHE 29/4885CA1 2317/4885

“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.