SCHEMBL6406582

SCHEMBL6406582

C=CCN=C1NC(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ CASP3 P42574 2/20 0.41
▸ CASP2 P42575 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ C3AR1 Q16581 4/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FER P16591 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL6406577 1.00 GSK3B (0.47) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL13995656 0.80 GSK3B (0.56) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL9565386 0.74 GSK3B (0.48) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL28728702 0.72 GSK3B (0.62) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL12386238 0.70 GSK3B (0.58) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL11241188 0.70 GSK3B (0.58) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL11241184 0.70 GSK3B (0.58) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL10609818 0.69 GSK3B (0.71) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL28967086 0.69 GSK3B (0.71) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL12386245 0.68 GSK3B (0.56) GSK3BCASP3CASP2CASP7CASP6

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 GSK3B 105/4885CASP3 212/4885CASP2 124/4885

“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.

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