SCHEMBL6092701

SCHEMBL6092701

CO/N=C1\CCN2c3c(cccc31)C(=O)NC2c1ccc(-n2ccnc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.37
PDE3A Q14432 11/20 0.37
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE2A O00408 2/20 0.34
HTT P42858 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL6092705 1.00 PDE3B (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6089161 0.85 PDE3B (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6090899 0.81 KDM4E (0.40) LMNACYP3A4TSHRMAPK1HTT
SCHEMBL6089041 0.79 ESR1 (0.36) HTTHCRTR1HCRTR2MAPT
SCHEMBL6089038 0.79 ESR1 (0.36) HTTHCRTR1HCRTR2MAPT
SCHEMBL6090911 0.79 MEN1 (0.40) LMNAMAPT
SCHEMBL6090917 0.79 MEN1 (0.40) LMNAMAPT
SCHEMBL6090501 0.79 BRD4 (0.36) TSHRCYP2C19HCRTR1HCRTR2
SCHEMBL6090493 0.79 BRD4 (0.36) TSHRCYP2C19HCRTR1HCRTR2
SCHEMBL6091800 0.78 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DLMNA

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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 (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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 PDE3B 2362/4885PDE3A 2325/4885PDE4A 2247/4885

“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.