SCHEMBL1778748

SCHEMBL1778748

CCOC(=O)n1nc(NC(=O)c2ccc(CN3CCOCC3)cc2[N+](=O)[O-])c2cc(C(=O)NC(C)(C)c3ccccc3)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
ALDH1A1 P00352 5/20 0.39
PDE7A Q13946 1/20 0.38
THRB P10828 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL1778929 0.94 ABL1 (0.48) ABL1BCRALDH1A1PDE7ATHRB
SCHEMBL1779397 0.94 ABL1 (0.49) ABL1BCRALDH1A1PDE7ATHRB
SCHEMBL1779446 0.86 ALDH1A1 (0.43) ALDH1A1THRBKDM4EHPGDKMT2A
SCHEMBL1779035 0.84 ABL1 (0.47) ABL1BCRPDE7ALMNAMAPT
SCHEMBL12603552 0.81 KDM4E (0.37) ABL1BCRALDH1A1PDE7AKDM4E
SCHEMBL1434063 0.81 ABL1 (0.63) ABL1BCRALDH1A1PDE7AKDM4E
SCHEMBL739785 0.80 ABL1 (0.57) ABL1BCRALDH1A1KDM4EMAPT
SCHEMBL739466 0.80 AURKA (0.51) ABL1BCRALDH1A1PDE7AKDM4E
SCHEMBL1433702 0.80 RAB9A (0.44) ABL1BCRPDE7ALMNAMAPT
SCHEMBL1779092 0.79 RXFP1 (0.39) ABL1BCRKMT2ALMNAMAPT

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 1047/4885ALDH1A1 3557/4885

“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.