SCHEMBL1779035

SCHEMBL1779035

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2[N+](=O)[O-])c2cc(C(=O)NC(C)(C)c3ccccc3)sc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
AURKA O14965 1/20 0.47
SIRT6 Q8N6T7 7/20 0.42
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PDE7A Q13946 3/20 0.36
HTR6 P50406 4/20 0.35
HTT P42858 1/20 0.35
BTK Q06187 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
SCHEMBL1780225 0.92 SIRT6 (0.39) ABL1BCRAURKASIRT6MAPT
SCHEMBL1777102 0.90 AURKA (0.48) ABL1BCRAURKAPDE7ABTK
SCHEMBL1781045 0.88 SIRT6 (0.42) SIRT6MAPTLMNAPOLBPDE7A
SCHEMBL1779446 0.87 ALDH1A1 (0.43) MAPTLMNA
Trifluoroacetic Acid SCHEMBL1777732 0.87 SIRT6 (0.41) SIRT6MAPTLMNAPOLBPDE7A
SCHEMBL1777733 0.86 SIRT6 (0.40) SIRT6MAPTLMNAPOLBPDE7A
SCHEMBL1778929 0.85 ABL1 (0.48) ABL1BCRAURKAMAPTLMNA
SCHEMBL1779037 0.85 AURKA (0.47) ABL1BCRAURKASIRT6PDE7A
SCHEMBL1779953 0.85 AURKA (0.46) ABL1BCRAURKASIRT6MAPT
SCHEMBL1779397 0.85 ABL1 (0.49) ABL1BCRAURKALMNAPDE7A

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 ABL1 397/4885BCR 1047/4885AURKA 170/4885

“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.