SCHEMBL1781045

SCHEMBL1781045

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2[N+](=O)[O-])c2cc(C(=O)OC(C)(C)C)sc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.42
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PDE7A Q13946 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 3/20 0.36
BTK Q06187 1/20 0.35
WDR5 P61964 1/20 0.35

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
SCHEMBL1777733 0.90 SIRT6 (0.40) SIRT6MAPTLMNAPOLBPDE7A
Trifluoroacetic Acid SCHEMBL1777732 0.89 SIRT6 (0.41) SIRT6MAPTLMNAPOLBPDE7A
SCHEMBL1779035 0.88 ABL1 (0.47) SIRT6MAPTLMNAPOLBPDE7A
SCHEMBL1777894 0.88 ALK (0.43) PDE7ABTKWDR5
SCHEMBL1780225 0.87 SIRT6 (0.39) SIRT6MAPTLMNAPOLBPDE7A
SCHEMBL741671 0.86 AURKA (0.46) MAPTPDE7ABTK
SCHEMBL1779377 0.85 ALDH1A1 (0.47) MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL1777877 0.83 PDE7A (0.43) MAPTLMNAPDE7ABTKWDR5
SCHEMBL1777250 0.83 IGF1R (0.44) SIRT6PDE7ABTKWDR5
SCHEMBL1778870 0.83 CSF1R (0.40) PDE7ABTKWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904503-B1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-11-06 EP disclosed
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US disclosed
US-20090149457-A1 1H-Thieno[2,3-c]Pyrazole Compounds Useful as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-11 US disclosed
EP-1904503-A1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-04-02 EP disclosed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 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-20090149457-A1 1H-Thieno[2,3-c]Pyrazole Compounds Useful as Kinase Inhibitors CCNH, PDK1, MAP3K5 SIRT6 2252/4885MAPT 573/4885LMNA 3353/4885

“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.