SCHEMBL7014736

SCHEMBL7014736

O=c1[nH]c(S)nc2[nH]ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.62
▸ TYMP P19971 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ PARP1 P09874 4/20 0.34
▸ SPR P35270 4/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PRKCI P41743 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL311783 0.77 DYRK1A (1.00) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL28309711 0.77 DYRK1A (0.62) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL15693107 0.77 DYRK1A (0.62) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL7851729 0.77 DYRK1A (0.62) DYRK1ATYMPGSK3BBACE1ADORA2A
Hydrochloric Acid SCHEMBL25394322 0.76 DYRK1A (0.96) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL14228146 0.74 DYRK1A (0.64) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL3242050 0.74 DYRK1A (0.39) DYRK1ATYMPGSK3BBACE1PARP1
SCHEMBL18961718 0.73 DYRK1A (0.57) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL16212529 0.73 DYRK1A (0.57) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL7015127 0.73 DYRK1A (0.57) DYRK1ATYMPGSK3BBACE1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003769-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2011-08-23 — — US disclosed
US-8003769-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2011-08-23 — — US disclosed
US-20100292457-A1 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-11-18 — — US disclosed
US-20100292457-A1 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-11-18 — — US disclosed
US-7678892-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-03-16 — — US disclosed
US-7678892-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-03-16 — — US disclosed
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-12-20 — — US disclosed
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-12-20 — — US disclosed
US-7262029-B2 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-08-28 — — US disclosed
US-7262029-B2 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-08-28 — — US disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 — — EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 — — 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 (2 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-20100292457-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 DYRK1A 3811/4885TYMP 9/4885GSK3B 4599/4885
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 DYRK1A 3811/4885TYMP 9/4885GSK3B 4599/4885

“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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