SCHEMBL5428774

SCHEMBL5428774

N#Cc1ccc(-c2cccc(-c3nc4ccc(C#N)cc4[nH]3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.66
▸ METAP1 P53582 2/20 0.66
▸ PKN1 Q16512 1/20 0.59
▸ PKN2 Q16513 1/20 0.59
▸ CHEK2 O96017 2/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ UBE2N P61088 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ DGAT1 O75907 2/20 0.53
▸ SOAT1 P35610 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ RHEB Q15382 1/20 0.52
▸ CSNK1A1 P48729 3/20 0.50
▸ CSNK1D P48730 3/20 0.50
▸ GSK3B P49841 3/20 0.50
▸ CSNK1G2 P78368 3/20 0.50
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL5428770 0.89 RHEB (0.52) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL20982510 0.82 PKN1 (0.82) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL18764054 0.79 CHEK2 (0.78) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL6061287 0.77 PKN1 (0.65) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL23563056 0.77 PKN1 (0.68) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL14816640 0.76 PKN1 (0.72) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL3341423 0.76 PKN1 (0.72) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL1253278 0.75 PKN1 (0.58) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL13185225 0.75 CHEK2 (0.60) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL1662880 0.73 MEN1 (0.77) PKN1PKN2CHEK2MEN1POLB

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
US-20070088067-A1 Novel amidine compounds for treating microbial infections GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-04-19 — — US disclosed
EP-1663959-A1 NOVEL AMIDINE COMPOUNDS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-06-07 — — EP disclosed
WO-2005033065-A1 NOVEL AMIDINE COMPOUNDS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-04-14 — — 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-20070088067-A1 Novel amidine compounds for treating microbial infections ARG1, ARG2, GSDMD METAP2 1066/4885METAP1 832/4885PKN1 3337/4885

“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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