SCHEMBL6645672

SCHEMBL6645672

COc1cccc2c(=O)[nH]c(N3CCN(C)CC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.49
TNKS2 Q9H2K2 1/20 0.49
HRH4 Q9H3N8 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR3A P46098 1/20 0.44
PRKDC P78527 1/20 0.43
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 2/20 0.43
APAF1 O14727 1/20 0.42
CDC25B P30305 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL6649511 0.82 TNKS (0.61) TNKSHTR3APARP1APAF1CDC25B
SCHEMBL6643130 0.82 TNKS (0.45) TNKSTNKS2DRD2DRD3PRKDC
SCHEMBL6646076 0.81 TNKS (0.51) TNKSHRH4DRD2DRD3HTR3A
SCHEMBL6647649 0.81 HTR3A (0.46) TNKSHRH4HTR3APARP1APAF1
SCHEMBL6644067 0.81 PARP1 (0.54) TNKSHRH4HTR3APARP1APAF1
SCHEMBL6646262 0.81 HTR3A (0.46) TNKSTNKS2HRH4HTR3APARP1
SCHEMBL6646683 0.81 TNKS (0.60) TNKSHRH4DRD2DRD3HTR3A
SCHEMBL6645847 0.79 HTR3A (0.44) TNKSHRH4HTR3APARP1APAF1
SCHEMBL6645316 0.79 HTR3A (0.44) TNKSHRH4HTR3APARP1APAF1
SCHEMBL19882181 0.78 TNKS (0.75) TNKSTNKS2HRH4DRD2DRD3

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 TNKS 121/4885TNKS2 319/4885HRH4 2085/4885

“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.