SCHEMBL6326421

SCHEMBL6326421

C=CC(=O)NC1CCCC(Nc2n[nH]c(=O)c3ccccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.48
KCNH2 Q12809 1/20 0.48
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
AURKB Q96GD4 4/20 0.44
JAK3 P52333 2/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
JAK2 O60674 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK3 P27361 2/20 0.38
AURKA O14965 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL6325693 0.87 BTK (0.45) BTKKCNH2ROCK2ROCK1AURKB
SCHEMBL6328383 0.85 ROCK2 (0.48) BTKROCK2ROCK1AURKBJAK3
SCHEMBL6334395 0.83 ROCK2 (0.53) ROCK2ROCK1AURKBALDH1A1CYP1A2
SCHEMBL6323063 0.79 POLB (0.47) ROCK2ROCK1AURKBJAK3ALDH1A1
SCHEMBL13153524 0.78 KDM4E (0.60) ROCK2ROCK1AURKBJAK2AURKA
SCHEMBL6323913 0.78 BRD4 (0.47) BTKROCK2ROCK1AURKBALDH1A1
SCHEMBL6324446 0.78 BRD4 (0.47) BTKROCK2ROCK1AURKBALDH1A1
SCHEMBL6324456 0.78 BRD4 (0.47) BTKROCK2ROCK1AURKBALDH1A1
SCHEMBL12846288 0.74 ROCK2 (0.42) ROCK2ROCK1AURKBALDH1A1CYP1A2
SCHEMBL6326484 0.72 JAK3 (0.48) BTKROCK2ROCK1JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 BTK 1232/4885KCNH2 3261/4885ROCK2 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.