SCHEMBL13185303

SCHEMBL13185303

N#Cc1ccc2nc(-c3ccc(-c4ccc(C#N)o4)o3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 1/20 0.54
▸ PKN2 Q16513 1/20 0.54
▸ METAP2 P50579 1/20 0.54
▸ METAP1 P53582 1/20 0.54
▸ CHEK2 O96017 2/20 0.54
▸ PIN1 Q13526 1/20 0.46
▸ RHEB Q15382 1/20 0.45
▸ CSNK1A1 P48729 5/20 0.44
▸ CSNK1D P48730 5/20 0.44
▸ DGAT1 O75907 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ SOAT1 P35610 1/20 0.43
▸ GSK3B P49841 4/20 0.43
▸ CSNK1G2 P78368 4/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ CFB P00751 3/20 0.40
▸ SSTR2 P30874 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13185225 0.87 CHEK2 (0.60) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL13167149 0.83 CHEK2 (0.50) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL13167142 0.80 CHEK2 (0.53) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL20550741 0.76 ALOX5 (0.64) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL20982510 0.75 PKN1 (0.82) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL18764054 0.72 CHEK2 (0.78) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL11293385 0.72 PKN1 (0.62) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL4952684 0.70 NPC1 (0.48) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL3341423 0.70 PKN1 (0.72) PKN1PKN2METAP2METAP1CHEK2
SCHEMBL14816640 0.70 PKN1 (0.72) PKN1PKN2METAP2METAP1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2010-09-30 — — US disclosed
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 — — US disclosed
EP-1726589-B1 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIV NORTH CAROLINA (US) 2008-10-15 — — EP disclosed
EP-1792613-A2 Dicationic compounds which selectively recognize G-quadruplex DNA UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-06-06 — — 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-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA DDB1, DNA2, SSBP1 PKN1 3159/4885PKN2 4015/4885METAP2 4568/4885

“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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