SCHEMBL4028183

SCHEMBL4028183

O=c1c(NCCCCCCOc2ccc(OCCN3CCOCC3)cc2)c(Nc2ccncc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
FES P07332 1/20 0.44
FGFR1 P11362 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4025586 0.89 EPHX2 (0.51) PLK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1703629 0.87 PLK1 (0.50) PLK1CYP3A4CYP2D6CYP2C19FLT4
SCHEMBL13046649 0.84 CYP2C19 (0.55) PLK1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL1835313 0.84 PLK1 (0.42) PLK1CYP3A4CYP2D6CYP2C19FLT4
SCHEMBL14088533 0.82 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1836724 0.82 NAMPT (0.48) PLK1SMN1; SMN2GAA
SCHEMBL12077218 0.82 NAMPT (0.45) PLK1CYP3A4CYP2D6CYP2C19FLT4
SCHEMBL4024696 0.81 PRKACA (0.58) CYP3A4CYP2D6CYP2C9CYP2C19FLT4
SCHEMBL4023026 0.81 PRKACA (0.58) CYP3A4CYP2D6CYP2C9CYP2C19FLT4
SCHEMBL4026381 0.81 PRKACA (0.58) FLT4KDRFESFGFR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 EP claimed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US claimed
EP-1674457-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2006-06-28 EP claimed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
EP-2096107-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2009-09-02 EP disclosed
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 EP disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
EP-1674457-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2006-06-28 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-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD PLK1 29/4885CYP1A2 4547/4885CYP3A4 4824/4885

“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.