SCHEMBL1030748

SCHEMBL1030748

C#Cc1nn(-c2ccccc2)c(N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 9/20 0.45
SMN1; SMN2 Q16637 8/20 0.45
GAA P10253 2/20 0.43
MAPT P10636 7/20 0.42
LMNA P02545 5/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HPGD P15428 4/20 0.41
MAPK1 P28482 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.40
BCAT1 P54687 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL698892 0.84 BCAT1 (0.53) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL1030407 0.76 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL692575 0.73 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL34059 0.73 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL5228080 0.72 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL1800736 0.72 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL13741146 0.70 GAA (0.54) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL1800203 0.69 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL1074449 0.69 NPC1 (0.51) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL7101284 0.69 GAA (0.65) NPC1RAB9ASMN1; SMN2GAAMAPT

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 NPC1 4736/4885RAB9A 3700/4885SMN1; SMN2 4796/4885

“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.