SCHEMBL4023622

SCHEMBL4023622

O=c1c(NCCCCCCOc2cccnc2)c(Nc2ccncc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 3/20 0.53
FES P07332 1/20 0.53
FGFR1 P11362 1/20 0.53
KDR P35968 1/20 0.53
MAPKAPK2 P49137 1/20 0.47
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
PRKACA P17612 7/20 0.44
RPS6KB1 P23443 7/20 0.44
GSK3A P49840 7/20 0.44
GSK3B P49841 7/20 0.44
RPS6KA3 P51812 7/20 0.44
ROCK1 Q13464 7/20 0.44
CDC42BPA Q5VT25 7/20 0.44
AURKB Q96GD4 7/20 0.44
CSNK1G3 Q9Y6M4 7/20 0.44
ERBB2 P04626 1/20 0.44
IRAK1 P51617 1/20 0.44
CHEK2 O96017 6/20 0.44
PRKG1 Q13976 6/20 0.44

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
SCHEMBL4029781 0.89 FLT4 (0.62) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4025437 0.89 FLT4 (0.62) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4026908 0.86 HDAC1 (0.48) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL5753737 0.84 PRKACA (0.56) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4024696 0.82 PRKACA (0.58) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4023026 0.82 PRKACA (0.58) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4024280 0.82 PRKACA (0.58) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4026381 0.82 PRKACA (0.58) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4026892 0.82 PRKACA (0.58) FLT4FESFGFR1KDRMAPKAPK2
SCHEMBL4023733 0.82 PRKACA (0.58) FLT4FESFGFR1KDRMAPKAPK2

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 12 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
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
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 3467/4885FES 4525/4885FGFR1 182/4885

“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.