SCHEMBL6644271

SCHEMBL6644271

Cc1cccc2c(=O)[nH]c(C3CC4CCC(C3)N4C)cc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
TNKS O95271 9/20 0.41
TNKS2 Q9H2K2 1/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL6646094 0.82 TNKS (0.50) PARP1TNKSTNKS2
SCHEMBL6645603 0.82 KDM4E (0.45) PARP1TNKSHTR3A
SCHEMBL6644531 0.80 PARP1 (0.44) PARP1TNKS
SCHEMBL6645162 0.80 PARP1 (0.46) PARP1TNKS
SCHEMBL3442265 0.79 TNKS (0.46) PARP1TNKSTNKS2BRD4ATAD2
SCHEMBL6645436 0.78 PARP1 (0.44) PARP1TNKSTNKS2
Hydrochloric Acid SCHEMBL3442524 0.77 HTR2C (0.47) PARP1TNKSTNKS2BRD4ATAD2
SCHEMBL6642750 0.77 PARP1 (0.43) PARP1TNKSTNKS2
SCHEMBL3443155 0.76 PARP14 (0.44) PARP1TNKSBRD4ATAD2
SCHEMBL6647500 0.76 TNKS (0.46) PARP1TNKSTNKS2

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 PARP1 2/4885TNKS 121/4885TNKS2 319/4885

“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.