SCHEMBL2127172

SCHEMBL2127172

CC(C)(C)OC(=O)n1ccc2c(Br)cncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.38
PIK3CA P42336 3/20 0.36
PIK3R1 P27986 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
HTR6 P50406 1/20 0.34
CYP11B2 P19099 1/20 0.34
PIK3CD O00329 2/20 0.34
ABL1 P00519 2/20 0.34

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
SCHEMBL29830789 1.00 BUB1 (0.38) BUB1PIK3CAPIK3R1PIM1MARK3
SCHEMBL18475876 0.83 GABRG2 (0.39) BUB1PIK3CAPIM1MARK3MAP4K2
SCHEMBL17079796 0.82 GPR119 (0.38) BUB1PIK3CAPIM1MARK3MAP4K2
SCHEMBL29830865 0.82 BUB1 (0.37) BUB1PIK3CAPIM1MARK3MAP4K2
SCHEMBL19662188 0.82 BUB1 (0.37) BUB1PIK3CAPIM1MARK3MAP4K2
SCHEMBL29507058 0.80 L3MBTL1 (0.44) BUB1PIK3CAPIK3R1PIM1MARK3
SCHEMBL1284244 0.80 L3MBTL1 (0.44) BUB1PIK3CAPIK3R1PIM1MARK3
SCHEMBL2112349 0.80 PIM1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL31330259 0.80 PIM1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL19662830 0.79 NOTUM (0.45) CYP11B2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
EP-4221756-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2023-08-09 EP disclosed
CN-109153646-B Pyridine dicarboxamide derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2022-08-02 CN disclosed
WO-2022069520-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-04-07 WO disclosed
US-10844015-B2 Pyridine dicarboxamide derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-11-24 US disclosed
US-10844015-B2 Pyridine dicarboxamide derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-11-24 US disclosed
US-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof Sammumed, LLC (US) 2019-08-20 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
WO-2011154737-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-15 WO disclosed
US-20110306613-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, 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
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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 (7 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-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT3, WNT1, WNT3A BUB1 2291/4885PIK3CA 385/4885PIK3R1 1261/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 BUB1 1844/4885PIK3CA 1056/4885PIK3R1 3350/4885
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 BUB1 72/4885PIK3CA 447/4885PIK3R1 608/4885
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 BUB1 133/4885PIK3CA 191/4885PIK3R1 394/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB BUB1 2935/4885PIK3CA 3776/4885PIK3R1 4156/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD BUB1 1642/4885PIK3CA 1/4885PIK3R1 7/4885
US-10844015-B2 Pyridine dicarboxamide derivatives as bromodomain inhibitors BRD4, BRD3, BRPF3 BUB1 905/4885PIK3CA 1575/4885PIK3R1 1762/4885

“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.