SCHEMBL3216808

SCHEMBL3216808

Nc1ccc(NC(=O)CN2CCOCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.74
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
ALDH1A1 P00352 8/20 0.72
HPGD P15428 3/20 0.72
ALOX15 P16050 1/20 0.72
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA9 Q16790 1/20 0.71
HRH3 Q9Y5N1 1/20 0.67
GAA P10253 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
NPC1 O15118 1/20 0.64
USP2 O75604 1/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL9921691 0.86 ATM (0.76) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL23963263 0.86 HRH3 (0.68) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL1409462 0.86 KDM4E (0.71) LMNAALDH1A1HPGDHRH3GAA
SCHEMBL3216795 0.85 ATM (0.70) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4749808 0.85 ATM (0.75) ATMLMNAHPGDALOX15CA1
SCHEMBL6555426 0.85 ALDH1A1 (0.80) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL13025526 0.85 ATM (0.74) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL403057 0.85 ATM (0.74) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL10122851 0.84 LMNA (1.00) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL22407743 0.84 KDM4E (0.69) LMNAALDH1A1HPGDGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-4161930-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
US-20200390909-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-12-17 US disclosed
CN-107635553-B Pyrimidine derivatives as kinase inhibitors and their therapeutic use 常山凯捷健生物药物研发(河北)有限公司 2020-08-14 CN disclosed
WO-2019173483-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-09-12 WO disclosed
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 ATM 3092/4885LMNA 1059/4885SMN1; SMN2 2032/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ATM 3565/4885LMNA 2810/4885SMN1; SMN2 1161/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B ATM 844/4885LMNA 1934/4885SMN1; SMN2 3153/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 ATM 1781/4885LMNA 4706/4885SMN1; SMN2 1736/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB ATM 854/4885LMNA 1837/4885SMN1; SMN2 4119/4885
US-20200390909-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES FUCA1, SI, FOLH1 ATM 4733/4885LMNA 1239/4885SMN1; SMN2 2210/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 ATM 569/4885LMNA 2720/4885SMN1; SMN2 4425/4885

“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.