SCHEMBL13167142

SCHEMBL13167142

[C-]#[N+]c1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C#N)cc5[nH]4)o3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.53
▸ PKN1 Q16512 1/20 0.50
▸ PKN2 Q16513 1/20 0.50
▸ METAP2 P50579 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ DGAT1 O75907 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ SOAT1 P35610 1/20 0.43
▸ RHEB Q15382 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CSNK1A1 P48729 5/20 0.41
▸ CSNK1D P48730 5/20 0.41
▸ CSNK1G2 P78368 4/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ADORA2A P29274 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
SCHEMBL13185225 0.90 CHEK2 (0.60) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL13167149 0.85 CHEK2 (0.50) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL13185303 0.80 PKN1 (0.54) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL13167125 0.78 TNKS (0.38) KCNH2
SCHEMBL20982510 0.75 PKN1 (0.82) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL20550741 0.70 ALOX5 (0.64) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL3341423 0.69 PKN1 (0.72) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL14816640 0.69 PKN1 (0.72) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL18764054 0.69 CHEK2 (0.78) CHEK2PKN1PKN2METAP2METAP1
SCHEMBL13167112 0.68 PGR (0.40) —

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 2 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

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 CHEK2 377/4885PKN1 3159/4885PKN2 4015/4885

“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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