SCHEMBL4906891

SCHEMBL4906891

Nc1cn(NCc2ccccc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA1 P00915 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 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
SCHEMBL4914567 0.87 IDO1 (0.39) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4913432 0.79 IDO1 (0.42) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4903557 0.76 IDO1 (0.39) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4903414 0.76 IDO1 (0.46) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL27878193 0.72 CYP2C19 (0.56) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4913674 0.72 IDO1 (0.48) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4914042 0.72 ADORA2A (0.40) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4908167 0.71 IDO1 (0.42) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4911040 0.71 IDO1 (0.42) IDO1CYP3A4MAPTTHRBMEN1
SCHEMBL4912475 0.70 ADORA2A (0.40) IDO1CYP3A4MAPTTHRBCA12

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 1934/4885CYP3A4 422/4885MAPT 1579/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885CYP3A4 422/4885MAPT 1579/4885

“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.