SCHEMBL6644907

SCHEMBL6644907

Cc1cccc2c(=O)[nH]c(CCN3CCCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.64
HRH3 Q9Y5N1 3/20 0.50
TNKS O95271 8/20 0.49
PARP2 Q9UGN5 1/20 0.43
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL6646644 0.99 PARP1 (0.62) PARP1HRH3TNKSPARP2
SCHEMBL6644297 0.92 PARP1 (0.58) PARP1HRH3TNKSPARP2
SCHEMBL6649322 0.91 PARP1 (0.57) PARP1HRH3TNKSPARP2
SCHEMBL3442539 0.87 PARP1 (0.64) PARP1TNKSPARP2
SCHEMBL3442537 0.85 PARP1 (0.65) PARP1TNKS
SCHEMBL3443047 0.85 PARP1 (0.65) PARP1TNKS
SCHEMBL6644504 0.83 HRH3 (0.49) PARP1HRH3PARP2
SCHEMBL3442544 0.82 PARP1 (0.61) PARP1TNKSPARP2
SCHEMBL3442541 0.82 PARP1 (0.61) PARP1TNKSPARP2
SCHEMBL3442872 0.82 PARP1 (0.61) PARP1TNKSPARP2

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
US-7459465-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-12-02 US disclosed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2/4885HRH3 2016/4885TNKS 121/4885
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 PARP1 2/4885HRH3 1150/4885TNKS 201/4885

“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.