SCHEMBL222463

SCHEMBL222463

Nc1ncccc1-c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 1.00
CDK2 P24941 2/20 1.00
MKNK1 Q9BUB5 2/20 1.00
MKNK2 Q9HBH9 2/20 1.00
ALDH1A1 P00352 12/20 0.66
NPC1 O15118 10/20 0.66
KDM4E B2RXH2 10/20 0.66
RAB9A P51151 9/20 0.66
SMN1; SMN2 Q16637 9/20 0.66
HPGD P15428 9/20 0.66
NPSR1 Q6W5P4 6/20 0.66
HSD17B10 Q99714 5/20 0.66
MAPT P10636 3/20 0.66
GAA P10253 2/20 0.66
GLA P06280 1/20 0.66
PDPK1 O15530 1/20 0.59
PKM P14618 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL30874471 1.00 CDK1 (1.00) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL30874496 0.83 CDK1 (0.71) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL30874526 0.82 MKNK1 (0.69) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL30802382 0.82 MKNK1 (0.69) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL26227556 0.82 MKNK1 (0.69) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL2175033 0.82 CDK1 (0.69) CDK1CDK2MKNK1MKNK2METAP2
SCHEMBL6530312 0.82 CDK1 (0.69) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL30802417 0.82 CDK1 (0.69) CDK1CDK2MKNK1MKNK2METAP2
SCHEMBL9986177 0.81 NPC1 (0.68) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL2191709 0.81 MKNK1 (0.68) CDK1CDK2MKNK1MKNK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844282-B2 Corrosion inhibiting formulations and uses thereof KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-11-24 US disclosed
US-20200291297-A1 CORROSION INHIBITING FORMULATIONS AND USES THEREOF KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-09-17 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 WO disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (4 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-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 CDK1 1344/4885CDK2 961/4885MKNK1 1067/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 CDK1 1197/4885CDK2 1842/4885MKNK1 763/4885
US-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 CDK1 3238/4885CDK2 2823/4885MKNK1 1655/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 CDK1 976/4885CDK2 1297/4885MKNK1 1058/4885

“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.