SCHEMBL1865895

SCHEMBL1865895

CC(C)(C)OC(=O)Nc1cccc(CBr)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP17A1 P05093 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GLS O94925 1/20 0.45
NPY1R P25929 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MMP1 P03956 1/20 0.44

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
SCHEMBL30632213 1.00 AURKA (0.49) AURKARPS6KB1AKT1SIRT2HDAC3
SCHEMBL13735759 0.89 CYP3A4 (0.49) AURKARPS6KB1AKT1SIRT2HDAC3
SCHEMBL1858721 0.87 PDK1 (0.58) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL29991279 0.87 MAPT (0.54) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL1985668 0.87 MAPT (0.54) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL31139332 0.87 PDK1 (0.58) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL8711740 0.87 AURKA (0.50) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL7911540 0.85 AURKA (0.49) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL16246277 0.85 AURKA (0.49) AURKARPS6KB1AKT1SIRT2HDAC3
SCHEMBL29969056 0.85 AURKA (0.52) AURKARPS6KB1SIRT2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117568743-B Surface corrosion-resistant wear-resistant treatment process for iron-based material 江苏普坦科金属科技有限公司 2024-03-19 CN claimed
CN-117568743-A Surface corrosion-resistant wear-resistant treatment process for iron-based material 江苏普坦科金属科技有限公司 2024-02-20 CN claimed
US-20260125417-A1 GLUCOCORTICOID RECEPTOR AGONISTS LILLY CO ELI (US) 2026-05-07 US disclosed
US-20250353874-A1 GLUCOCORTICOID RECEPTOR AGONISTS LILLY CO ELI (US) 2025-11-20 US disclosed
US-20250345441-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2025-11-13 US disclosed
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS SHANGHAI CO LTD (CN) 2025-10-23 US disclosed
US-20250276067-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2025-09-04 US disclosed
US-12404298-B2 Glucocorticoid receptor agonists ELI LILLY AND COMPANY (US) 2025-09-02 US disclosed
EP-4590686-A1 GLUCOCORTICOID RECEPTOR AGONISTS Eli Lilly and Company (US) 2025-07-30 EP disclosed
EP-4558511-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF Firefly Bio, Inc. (US) 2025-05-28 EP disclosed
US-6680311-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ELI LILLY AND COMPANY 2004-01-20 US disclosed
US-20030023086-A1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-01-30 US disclosed
US-6458952-B1 ENZYME INHIBITORS FOR SERINE METHODS FOR PREVENTING AND TREATING THROMBOTIC CONDITIONS SUCH AS CORONARY ARTERY AND CEREBROVASCULAR DISEASE WITH COMPOUNDS THAT INHIBIT SERINE PROTEASES OF THE COAGULATION CASCADE. PHARMACIA CORPORATION 2002-10-01 US disclosed
EP-1178971-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS Pharmacia Corporation (US) 2002-02-13 EP disclosed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
US-6191273-B1 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS ISIS PHARMACEUTICALS, INC. 2001-02-20 US disclosed
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
CN-1233957-A Pharmaceutical compositions LILLY CO ELI (US) 1999-11-03 CN disclosed
WO-1999011612-A2 SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 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 (8 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-20030023086-A1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade TFPI, PLAT, PLAU AURKA 1910/4885RPS6KB1 1625/4885AKT1 2727/4885
US-20250345441-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME MTHFD1, DHFR, ABCG2 AURKA 56/4885RPS6KB1 2431/4885AKT1 1831/4885
US-12404298-B2 Glucocorticoid receptor agonists NR3C1, NR3C2, MC2R AURKA 2822/4885RPS6KB1 2520/4885AKT1 1222/4885
US-20250276067-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME MTHFD1, DHFR, ABCG2 AURKA 56/4885RPS6KB1 2431/4885AKT1 1831/4885
US-20250353874-A1 GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, NR3C2, MC2R AURKA 2822/4885RPS6KB1 2520/4885AKT1 1222/4885
US-20260125417-A1 GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, NR3C2, MC2R AURKA 4047/4885RPS6KB1 2032/4885AKT1 1021/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 AURKA 289/4885RPS6KB1 1026/4885AKT1 400/4885
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST TLR3, TLR7, TLR8 AURKA 3017/4885RPS6KB1 1449/4885AKT1 1047/4885

“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.