SCHEMBL696216

SCHEMBL696216

CCCn1nc(C)c(NC)c1N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL1076179 0.87 TLR8 (0.34) ADORA2AADORA2B
SCHEMBL6731431 0.78 ADORA2A (0.46) ADORA2AADORA2BGAAALDH1A1POLB
SCHEMBL19313228 0.73 PKM (0.44) ADORA2AADORA2BGAA
SCHEMBL7352542 0.70 TSHR (0.56) ADORA2AADORA2BGAAALDH1A1POLB
SCHEMBL10940099 0.69 GAA (0.53) ADORA2AADORA2BGAAALDH1A1POLB
SCHEMBL7347255 0.69 MAPK1 (0.43) ADORA2AADORA2BGAAPOLB
SCHEMBL20551370 0.69 MAPK1 (0.46) ADORA2AADORA2BGAAALDH1A1POLB
SCHEMBL7112056 0.69
SCHEMBL5317787 0.68 ILK (0.36)
SCHEMBL1074713 0.67 MPO (0.37)

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
EP-2503985-A1 POWDERED HAIR COLORING AND BLEACHING COMPOSITIONS The Procter & Gamble Company (US) 2012-10-03 EP disclosed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
US-20110268802-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY 2011-11-03 US disclosed
US-20110269658-A1 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY 2011-11-03 US disclosed
US-20110269657-A1 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY 2011-11-03 US disclosed
US-8034128-B2 Thickened hair colourant and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-10-11 US disclosed
US-8034127-B2 Thickened hair colourant and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-10-11 US disclosed
US-8029578-B2 Thickened hair colourant and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-10-04 US disclosed
US-8002850-B2 Powdered hair coloring and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-08-23 US disclosed
US-20110067722-A1 Thickened Hair Colourant and Bleaching Compositions WELLA OPERATIONS US, LLC 2011-03-24 US disclosed
US-20110067723-A1 Thickened Hair Colourant and Bleaching Compositions WELLA OPERATIONS US, LLC 2011-03-24 US disclosed
WO-2011034802-A1 THICKENED HAIR COLOURANT AND BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2011-03-24 WO disclosed
WO-2011034868-A1 THICKENED HAIR COLOURANT AND BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2011-03-24 WO disclosed
EP-2298417-A1 Thickened hair colourant and bleaching compositions The Procter & Gamble Company (US) 2011-03-23 EP disclosed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 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 (5 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-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof KRT18, LPO, CYB5R3 ADORA2A 4242/4885ADORA2B 4318/4885GAA 3284/4885
US-20110268802-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 ADORA2A 1950/4885ADORA2B 2163/4885GAA 347/4885
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 ADORA2A 4680/4885ADORA2B 4656/4885GAA 1970/4885
US-20110269658-A1 DELIVERY PARTICLES LIPA, CHMP4B, ABCB4 ADORA2A 1808/4885ADORA2B 1961/4885GAA 384/4885
US-20110269657-A1 DELIVERY PARTICLES LIPA, CHMP4B, ABCB4 ADORA2A 1808/4885ADORA2B 1961/4885GAA 384/4885

“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.