SCHEMBL6644683

SCHEMBL6644683

Cc1cccc2c(=O)[nH]c(N3CCCN(C)CC3)cc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.57
PARP1 P09874 4/20 0.51
HTR3A P46098 1/20 0.43
APAF1 O14727 1/20 0.41
CDC25B P30305 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
KIF11 P52732 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL6649511 0.95 TNKS (0.61) TNKSPARP1HTR3AAPAF1CDC25B
SCHEMBL6649536 0.86 TNKS (0.56) TNKSPARP1HTR3A
SCHEMBL6644553 0.83 TNKS (0.48) TNKSPARP1APAF1CDC25BCASP3
SCHEMBL6648492 0.82 TNKS (0.49) TNKSPARP1APAF1CDC25BCASP3
SCHEMBL6648820 0.82 APAF1 (0.63) TNKSPARP1HTR3AAPAF1CDC25B
SCHEMBL6650173 0.81 PARP1 (0.47) TNKSPARP1POLBL3MBTL1
SCHEMBL6649526 0.81 TNKS (0.47) TNKSPARP1POLBL3MBTL1
SCHEMBL6649242 0.81 TNKS (0.46) TNKSPARP1APAF1CDC25BCASP3
SCHEMBL6644897 0.80 APAF1 (0.64) TNKSPARP1APAF1CDC25BCASP3
SCHEMBL6646262 0.80 HTR3A (0.46) TNKSPARP1HTR3AAPAF1CDC25B

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 121/4885PARP1 2/4885HTR3A 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.