SCHEMBL1585545

SCHEMBL1585545

O=C1NCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
AURKA O14965 3/20 0.49
S100A4 P26447 2/20 0.49
KDR P35968 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PTPRC P08575 1/20 0.45
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR35 Q9HC97 1/20 0.41
PARP1 P09874 2/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL4718488 0.83 ACHE (0.50) ACHES100A4KMT2AMAPTRECQL
SCHEMBL27456802 0.81 ACHE (0.47) ACHES100A4KMT2AMAPTRECQL
SCHEMBL4694280 0.77 TDP2 (0.59) ACHES100A4KMT2AMAPTRECQL
SCHEMBL2060410 0.75 S100A4 (0.47) ACHES100A4KMT2AMAPTRECQL
SCHEMBL28381941 0.74 ACHE (0.58) ACHES100A4KDRKMT2AMAPT
SCHEMBL30740520 0.73 MAPT (0.66) ACHES100A4KMT2AMAPTRECQL
SCHEMBL869059 0.72 CDK5 (0.54) S100A4KDRKMT2AMAPTRECQL
SCHEMBL31316525 0.72 CDK5 (0.54) S100A4KDRKMT2AMAPTRECQL
SCHEMBL3039191 0.72 TDP1 (0.67) ACHES100A4KMT2AMAPTRECQL
SCHEMBL4621603 0.71 ACHE (0.56) ACHES100A4KMT2AMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
CN-117088905-A Asymmetric boron-fluorine pyrrole fluorescent dye, preparation method thereof and method for preparing fluorescent microspheres 南京珀立科技有限公司 2023-11-21 CN claimed
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof DONG-A ST CO., LTD. (KR) 2025-03-04 US disclosed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US disclosed
CN-117088905-A Asymmetric boron-fluorine pyrrole fluorescent dye, preparation method thereof and method for preparing fluorescent microspheres 南京珀立科技有限公司 2023-11-21 CN disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
EP-4163278-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2023-04-12 EP disclosed
CN-106957299-A A kind of lenalidomide preparation method 常州制药厂有限公司 2017-07-18 CN disclosed
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
EP-2486012-B1 PROCESSES FOR THE PREPARATION OF 2-(1-PHENYLETHYL) ISOINDOLIN-1-ONE COMPOUNDS CELGENE CORP (US) 2013-12-11 EP disclosed
CN-101495450-A Isoindole derivatives useful for treating pain, gastrointestinal diseases and cancer ASTRAZENECA AB (SE) 2009-07-29 CN disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 WO disclosed
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ACHE 2878/4885AURKA 90/4885S100A4 4474/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ACHE 2878/4885AURKA 90/4885S100A4 4474/4885
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof EIF2AK4, GCN1, GCGR ACHE 4586/4885AURKA 4571/4885S100A4 3678/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP ACHE 3707/4885AURKA 66/4885S100A4 4140/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR ACHE 4586/4885AURKA 4571/4885S100A4 3678/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ACHE 2878/4885AURKA 90/4885S100A4 4474/4885

“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.