SCHEMBL4024804

SCHEMBL4024804

O=c1c(NCCCCCCNc2ccc(Cl)cc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
CHEK1 O14757 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
AKT1 P31749 1/20 0.47
RPS6KA3 P51812 1/20 0.47
NEK4 P51957 1/20 0.47
CSNK1G2 P78368 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKG2 Q13237 1/20 0.47
ROCK1 Q13464 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN2 Q16513 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47

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
SCHEMBL4026945 0.88 NAMPT (0.48) FLT4GSK3AGSK3BCHEK1MAP4K4
SCHEMBL4023522 0.88 NAMPT (0.48) FLT4GSK3AGSK3BCHEK1MAP4K4
SCHEMBL4023781 0.85 GSK3A (0.65) FLT4GSK3AGSK3BCHEK1MAP4K4
SCHEMBL4026908 0.79 HDAC1 (0.48) FLT4MEN1RAB9AKMT2AHDAC1
SCHEMBL4029995 0.78 FLT4 (0.64) FLT4GSK3AGSK3BCHEK1MAP4K4
SCHEMBL7350556 0.78 MAPKAPK2 (0.43) FLT4GSK3AGSK3BCHEK1MAP4K4
SCHEMBL8940741 0.77 MEN1 (0.57) MEN1RAB9AKMT2ANAMPTCYP11B1
SCHEMBL4028515 0.76 HDAC1 (0.47) FLT4GSK3AGSK3BCHEK1CHEK2
SCHEMBL5753737 0.76 PRKACA (0.56) FLT4GSK3AGSK3BCHEK1MAP4K4
SCHEMBL4026559 0.75 GSK3A (0.62) FLT4GSK3AGSK3BCHEK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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
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 FLT4 3467/4885GSK3A 241/4885GSK3B 254/4885

“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.