SCHEMBL165660

SCHEMBL165660

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
RPS6KB1 P23443 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.48
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
CFD P00746 1/20 0.47
CYP17A1 P05093 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
AURKB Q96GD4 1/20 0.45
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL29969056 1.00 AURKA (0.52) AURKARPS6KB1LOXL2SIRT2HDAC3
Hydrochloric Acid SCHEMBL307872 0.99 AURKA (0.51) AURKARPS6KB1LOXL2SIRT2HDAC3
SCHEMBL31370757 0.89 AURKA (0.50) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL2245914 0.87 AURKA (0.42) AURKARPS6KB1LOXL2CFDCA1
SCHEMBL4699624 0.87 CA1 (0.51) AURKARPS6KB1LOXL2SIRT2CFD
SCHEMBL8711740 0.87 AURKA (0.50) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL31139332 0.87 PDK1 (0.58) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL29991279 0.87 MAPT (0.54) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL1858721 0.87 PDK1 (0.58) AURKARPS6KB1SIRT2HDAC3HDAC1
SCHEMBL1985668 0.87 MAPT (0.54) 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 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339406-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-11-06 US disclosed
US-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BAYLOR COLLEGE MEDICINE (US) 2025-10-23 US disclosed
US-12364688-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-07-22 US disclosed
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 US disclosed
US-20250084012-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-03-13 US disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-4461715-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUPS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-11-13 EP disclosed
US-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-13 US disclosed
EP-4301417-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES The Research Foundation for The State University of New York (US) 2024-01-10 EP disclosed
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
CN-1514823-A Oxalic acid derivatives Ĭ��ר���ɷ����޹�˾ 2004-07-21 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
EP-1409483-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2004-04-21 EP disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed
WO-2003010164-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-06 WO disclosed
WO-1998014451-A1 FUSED PYRAZOLE DERIVATIVE AND PROCESS FOR ITS PREPARATION NOVARTIS AG (CH) 1998-04-09 WO disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 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 (10 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 AURKA 728/4885RPS6KB1 531/4885LOXL2 1671/4885
US-12364688-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 AURKA 3088/4885RPS6KB1 2812/4885LOXL2 2762/4885
US-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES TLR7, TLR8, TLR9 AURKA 4094/4885RPS6KB1 328/4885LOXL2 1399/4885
US-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 AURKA 47/4885RPS6KB1 2055/4885LOXL2 4427/4885
US-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BPGM, PNMT, DDT AURKA 2727/4885RPS6KB1 1201/4885LOXL2 1146/4885
US-20250084012-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUP TERT, MGMT, MITF AURKA 3035/4885RPS6KB1 2656/4885LOXL2 965/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 AURKA 3788/4885RPS6KB1 369/4885LOXL2 3557/4885
US-20250339406-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 AURKA 3088/4885RPS6KB1 2812/4885LOXL2 2762/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 AURKA 2614/4885RPS6KB1 2261/4885LOXL2 3329/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 AURKA 3003/4885RPS6KB1 524/4885LOXL2 4059/4885

“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.