SCHEMBL1027010

SCHEMBL1027010

CC#Cc1nn(Cc2ccccc2)c(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
SLC9A1 P19634 1/20 0.37
GRM2 Q14416 1/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
NPY1R P25929 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL1076537 0.81 TSHR (0.60) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL33942 0.76 KDM4E (0.75) TSHRGAAPOLBKDM4ECYP1A2
Hydrochloric Acid SCHEMBL7110274 0.74 KDM4E (0.73) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL1075557 0.72 KDM4E (0.51) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL1075673 0.72 CYP1A2 (0.53) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL1801035 0.70 GAA (0.53) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL692740 0.67 PDE8B (0.49) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL7303767 0.67 TSHR (1.00) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL6662943 0.66 POLB (0.50) TSHRGAAPOLBKDM4ECYP1A2
SCHEMBL10186934 0.66 KDM4E (1.00) TSHRGAAPOLBKDM4ECYP1A2

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 TSHR 4729/4885GAA 3712/4885POLB 1281/4885

“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.