SCHEMBL1075673

SCHEMBL1075673

COc1nn(Cc2ccccc2)c(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
ACHE P22303 2/20 0.44
HPGD P15428 1/20 0.41
ADORA2A P29274 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GUCY1B2 O75343 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL1075926 0.87 CYP1A2 (0.41) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL692418 0.86 CYP1A2 (0.52) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL33942 0.78 KDM4E (0.75) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7110274 0.77 KDM4E (0.73) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL1801035 0.75 GAA (0.53) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL1075557 0.75 KDM4E (0.51) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL8038821 0.74 KDM4E (0.51) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2760339 0.74 CNR2 (0.70) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL692697 0.73 ILK (0.30)
SCHEMBL1027010 0.72 TSHR (0.50) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19

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 8 patents. 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
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US claimed
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
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US 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
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 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 (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-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX CYP1A2 446/4885CYP2D6 810/4885CYP3A4 197/4885

“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.