SCHEMBL6408399

SCHEMBL6408399

Nc1ccc2c3c(c(=O)[nH]c2c1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.57
AR P10275 1/20 0.43
AURKA O14965 1/20 0.42
KCNH2 Q12809 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KIF11 P52732 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 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
SCHEMBL31154617 0.87 PARP1 (0.54) PARP1ARAURKA
SCHEMBL25912118 0.80 PARP1 (0.70) PARP1
SCHEMBL25153943 0.80 KDM4E (0.48) PARP1KCNH2PARP2KIF11
SCHEMBL6407884 0.80 HSD17B10 (0.51) PARP1KCNH2PARP2
SCHEMBL395329 0.79 MAPT (0.54) PARP1KIF11CDK4CCND1
SCHEMBL6554641 0.78 PARP1 (0.53) PARP1KCNH2PARP2
SCHEMBL6643842 0.77 KDM4E (0.51) PARP1KCNH2PARP2KIF11
SCHEMBL25919036 0.77 PARP1 (0.42) PARP1KCNH2PARP2
SCHEMBL6069754 0.77 MAPT (0.51) PARP1AURKAKCNH2PARP2
SCHEMBL6646157 0.77 PARP1 (0.50) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US disclosed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 PARP1 1/4885AR 708/4885AURKA 145/4885

“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.