SCHEMBL14059898

SCHEMBL14059898

COc1ncccc1Nc1ncc([N+](=O)[O-])c(NC2CCC(O)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.57
▸ GSK3A P49840 3/20 0.57
▸ TYRO3 Q06418 9/20 0.47
▸ MERTK Q12866 9/20 0.47
▸ FLT3 P36888 8/20 0.47
▸ GAS6 Q14393 7/20 0.47
▸ TYK2 P29597 5/20 0.43
▸ AXL P30530 4/20 0.43
▸ PLK1 P53350 3/20 0.43
▸ IGF1R P08069 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL14060018 1.00 GSK3B (0.57) GSK3BGSK3ATYRO3MERTKFLT3
SCHEMBL15795562 0.91 AXL (0.46) GSK3BGSK3ATYRO3MERTKFLT3
SCHEMBL14062224 0.86 GSK3A (0.42) GSK3BGSK3AFLT3TYK2AXL
SCHEMBL14060866 0.86 GSK3B (0.42) GSK3BGSK3AFLT3TYK2AXL
SCHEMBL14060868 0.86 GSK3B (0.42) GSK3BGSK3AFLT3TYK2AXL
SCHEMBL14060800 0.85 TYK2 (0.46) GSK3BGSK3AMERTKFLT3TYK2
SCHEMBL14060893 0.85 TYK2 (0.46) GSK3BGSK3AMERTKFLT3TYK2
SCHEMBL14062109 0.85 TYK2 (0.46) GSK3BGSK3AMERTKFLT3TYK2
SCHEMBL14062111 0.85 TYK2 (0.46) GSK3BGSK3AMERTKFLT3TYK2
SCHEMBL15795064 0.84 PLK1 (0.41) GSK3BGSK3AFLT3TYK2AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2014-06-19 — — US disclosed
WO-2012160030-A1 PYRIDIN-2 (1H) -ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2012-11-29 — — 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 (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-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES JAK1, JAK3, JAK2 GSK3B 827/4885GSK3A 954/4885TYRO3 140/4885

“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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