SCHEMBL6647772

SCHEMBL6647772

CN1C2CCC1CC(c1nc3ccccc3c(=O)[nH]1)C2

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.67
TNKS2 Q9H2K2 2/20 0.50
HTR3A P46098 2/20 0.47
MAPT P10636 1/20 0.46
PARP2 Q9UGN5 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
QTRT1 Q9BXR0 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL16404341 0.81 PARP1 (0.62) PARP1TNKS2MAPTALDH1A1QTRT1
SCHEMBL28004053 0.81 PARP1 (0.62) PARP1TNKS2MAPTALDH1A1QTRT1
SCHEMBL6647819 0.81 PARP1 (0.55) PARP1TNKS2PARP2
SCHEMBL28501122 0.79 PARP1 (0.58) PARP1TNKS2KDM4EALDH1A1QTRT1
SCHEMBL28507693 0.79 PARP1 (0.56) PARP1TNKS2ALDH1A1QTRT1DRD1
SCHEMBL29499006 0.77 PARP1 (0.55) PARP1TNKS2QTRT1DRD1DRD5
SCHEMBL28113245 0.77 PARP1 (0.55) PARP1TNKS2QTRT1DRD1DRD5
SCHEMBL30496105 0.76 PARP1 (0.54) PARP1TNKS2QTRT1KMT2A
SCHEMBL7713954 0.76 PARP1 (0.54) PARP1TNKS2QTRT1KMT2A
SCHEMBL38658638 0.76 PARP1 (0.54) PARP1TNKS2PARP2KDM4EQTRT1

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 6 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
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP disclosed
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
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 PARP1 2/4885TNKS2 319/4885HTR3A 2987/4885

“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.