SCHEMBL6061802

SCHEMBL6061802

N#Cc1ccc(-c2cccc(-c3nc4cc(C#N)ccc4[nH]3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.57
DGAT1 O75907 1/20 0.51
SOAT1 P35610 1/20 0.51
KCNH2 Q12809 1/20 0.51
CHEK2 O96017 2/20 0.50
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3B P49841 1/20 0.45
CSNK1G2 P78368 1/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
BLM P54132 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 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
SCHEMBL20982453 0.89 RHEB (0.52) RHEBDGAT1SOAT1KCNH2CHEK2
SCHEMBL28267390 0.85 CHEK2 (0.61) RHEBDGAT1SOAT1KCNH2CHEK2
SCHEMBL20982583 0.85 RHEB (0.70) RHEBDGAT1SOAT1KCNH2CHEK2
SCHEMBL6061570 0.83 METAP2 (0.45) RHEBDGAT1KCNH2CHEK2PKN1
SCHEMBL6507037 0.83 PKN1 (0.45) RHEBDGAT1SOAT1KCNH2CHEK2
SCHEMBL16147689 0.83 CHEK2 (0.56) RHEBCHEK2PKN1PKN2MEN1
SCHEMBL5428770 0.82 RHEB (0.52) RHEBDGAT1SOAT1KCNH2CHEK2
SCHEMBL57009 0.82 POLB (0.57) MEN1KMT2AUSP2POLBGAA
SCHEMBL8409891 0.81 CHEK2 (0.70) RHEBDGAT1SOAT1KCNH2CHEK2
SCHEMBL6061845 0.80 RHEB (0.50) RHEBDGAT1SOAT1KCNH2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP disclosed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US disclosed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 WO 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 RHEB 412/4885DGAT1 193/4885SOAT1 663/4885

“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.