SCHEMBL4904417

SCHEMBL4904417

Nc1cn(NCc2ccccc2)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
ASAH1 Q13510 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
APP P05067 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
BACE1 P56817 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
SCHEMBL4914460 0.83 ASAH1 (0.43) IDO1ASAH1CYP3A4MAPTAPP
SCHEMBL13714649 0.82 MAPT (0.51) MAPTGAANPSR1ADORA2AADORA1
SCHEMBL13714576 0.76 MAPT (0.49) MAPTADORA2AADORA1SMN1; SMN2HRH4
SCHEMBL13714641 0.74 MAPT (0.46) MAPTADORA2AADORA1SMN1; SMN2HRH4
SCHEMBL13714739 0.73 MAPT (0.47) MAPTAPPADORA2ASMN1; SMN2
SCHEMBL4912737 0.73 MAPT (0.37) IDO1CYP3A4MAPTGAASMN1; SMN2
SCHEMBL4903557 0.69 IDO1 (0.39) IDO1ASAH1CYP3A4MAPTGAA
SCHEMBL4906891 0.68 IDO1 (0.46) IDO1CYP3A4MAPTGAABACE1
SCHEMBL4911040 0.68 IDO1 (0.42) IDO1CYP3A4MAPTAPPNPSR1
SCHEMBL4910484 0.68 IDO1 (0.38) IDO1CYP3A4MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 IDO1 1934/4885ASAH1 3102/4885CYP3A4 422/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885ASAH1 3102/4885CYP3A4 422/4885

“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.