SCHEMBL6645338

SCHEMBL6645338

CN(C)C1CCN(c2cc3ccccc3c(=O)[nH]2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.55
CDC25B P30305 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
KDR P35968 1/20 0.47
PARP1 P09874 3/20 0.46
HTR6 P50406 4/20 0.45
HTR2B P41595 2/20 0.45
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CHEK2 O96017 3/20 0.42
HTR1D P28221 2/20 0.39
HTR3A P46098 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39

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
SCHEMBL6644939 0.92 CDC25B (0.61) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6645982 0.83 TNKS (0.54) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646712 0.81 APAF1 (0.48) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646165 0.78 APAF1 (0.50) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646112 0.77 CDC25B (0.58) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6647788 0.77 APAF1 (0.49) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646307 0.77 PARP1 (0.48) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6644242 0.77 APAF1 (0.42) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6648831 0.76 CDC25B (0.64) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL13107350 0.76 APAF1 (0.56) APAF1CDC25BCASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 APAF1 318/4885CDC25B 3854/4885CASP3 308/4885

“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.