SCHEMBL6323913

SCHEMBL6323913

N[C@H]1CCC[C@@H](Nc2n[nH]c(=O)c3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ATAD2 Q6PL18 1/20 0.47
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKB Q96GD4 3/20 0.43
AURKA O14965 1/20 0.43
BTK Q06187 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIM1 P11309 5/20 0.39
PIM2 Q9P1W9 1/20 0.39
ULK1 O75385 1/20 0.39
PRMT5 O14744 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
SCHEMBL6324456 1.00 BRD4 (0.47) BRD4ATAD2ROCK2ROCK1KDM4E
SCHEMBL6324446 1.00 BRD4 (0.47) BRD4ATAD2ROCK2ROCK1KDM4E
SCHEMBL13153524 0.85 KDM4E (0.60) ROCK2ROCK1KDM4EHSD17B10AURKB
SCHEMBL6325665 0.84 BRD4 (0.48) BRD4ATAD2ROCK2BTKPIM1
SCHEMBL6325659 0.84 BRD4 (0.48) BRD4ATAD2ROCK2BTKPIM1
SCHEMBL6327187 0.84 BRD4 (0.48) BRD4ATAD2ROCK2BTKPIM1
SCHEMBL6325411 0.84 BRD4 (0.48) BRD4ATAD2ROCK2BTKPIM1
SCHEMBL6326315 0.84 BRD4 (0.48) BRD4ATAD2ROCK2BTKPIM1
SCHEMBL6327196 0.84 BRD4 (0.48) BRD4ATAD2ROCK2BTKPIM1
SCHEMBL6328383 0.81 ROCK2 (0.48) ROCK2ROCK1KDM4EHSD17B10AURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 BRD4 131/4885ATAD2 991/4885ROCK2 1658/4885

“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.