SCHEMBL4309701

SCHEMBL4309701

N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 18/20 1.00
▸ ADORA2B P29275 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL4312587 0.90 ADORA1 (0.81) ADORA1ADORA2BALDH1A1ADORA3KDM4E
SCHEMBL13913698 0.90 ADORA1 (0.81) ADORA1ADORA2BADORA3KDM4EHTT
SCHEMBL13913604 0.89 ADORA1 (1.00) ADORA1ADORA2BADORA3KDM4EHTT
SCHEMBL13913771 0.89 ADORA1 (1.00) ADORA1ADORA2BALDH1A1KDM4EHTT
SCHEMBL13913670 0.88 ADORA1 (1.00) ADORA1ADORA2BALDH1A1ADORA3
SCHEMBL13913970 0.87 ADORA1 (0.78) ADORA1ADORA2BADORA3
SCHEMBL13913872 0.86 ADORA1 (0.76) ADORA1ADORA2B
SCHEMBL13914092 0.85 ADORA1 (0.74) ADORA1ADORA2BADORA3
SCHEMBL13914395 0.85 ADORA1 (1.00) ADORA1ADORA2BADORA3
SCHEMBL13913745 0.85 ADORA1 (1.00) ADORA1ADORA2BALDH1A1ADORA3KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 — — EP disclosed
US-20160250260-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 — — US disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 — — EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 — — WO disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-20060264432-A1 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-23 — — US disclosed
US-7135486-B1 Adenosine A1, A2a, and A2b receptor ligands; coupling the 2-mercapto-3,5-dicyano-4-aryl-6-aminopyridine to a substituted alkyl or alkenyl compound; antiischemic agents; cardiovascular disorders BAYER AKTIENGESELISCHAFT (DE) 2006-11-14 — — 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 (1 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-20060264432-A1 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2B 1/4885ALDH1A1 110/4885

“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.

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