SCHEMBL5173646

SCHEMBL5173646

Nc1cnc(NCCO)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
PKM P14618 1/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CDK1 P06493 2/20 0.33
CYP3A4 P08684 1/20 0.33
CHEK1 O14757 1/20 0.33
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDC7 O00311 1/20 0.32
CHUK O15111 1/20 0.31

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
SCHEMBL5154027 0.89 CYP1A2 (0.43) POLBPKMALDH1A1KDM4ECDK1
SCHEMBL10247841 0.77 POLB (0.41) POLBPKMCSNK2A2CSNK2BCSNK2A1
SCHEMBL5156890 0.73 CYP2D6 (0.39) POLBPKMCSNK2A2CSNK2BCSNK2A1
SCHEMBL10195123 0.73 POLB (0.41) POLBPKMCSNK2A2CSNK2BCSNK2A1
SCHEMBL19164957 0.71 IAPP (0.37) PKMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5154565 0.68 CYP2D6 (0.37) POLBPKMALDH1A1GAAKDM4E
SCHEMBL5175293 0.68 CSNK2A2 (0.40) POLBPKMCSNK2A2CSNK2BCSNK2A1
SCHEMBL5039453 0.68 ALDH1A1 (0.47) POLBPKMCSNK2A2CSNK2BCSNK2A1
SCHEMBL29711624 0.66 PI4KA (0.59) PKMCSNK2A2CSNK2BCSNK2A1CYP3A4
SCHEMBL7899279 0.65 GAA (0.42) POLBALDH1A1GAAKDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 POLB 1167/4885PKM 517/4885CSNK2A2 547/4885

“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.