SCHEMBL698892

SCHEMBL698892

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 7/20 0.42
HPGD P15428 7/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
MCL1 Q07820 1/20 0.42
LMNA P02545 5/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL1075776 0.86 MAPT (0.40) BCAT1GAASMN1; SMN2NPC1RAB9A
SCHEMBL1030748 0.84 NPC1 (0.45) BCAT1GAASMN1; SMN2NPC1RAB9A
SCHEMBL1076996 0.83 MAPT (0.55) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13602939 0.83 BCAT1 (0.50) BCAT1GAASMN1; SMN2ALDH1A1HPGD
SCHEMBL13741146 0.83 GAA (0.54) BCAT1GAASMN1; SMN2NPC1RAB9A
SCHEMBL1074412 0.79 NPC1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1075654 0.79 MAPT (0.39) BCAT1GAASMN1; SMN2NPC1RAB9A
SCHEMBL3770168 0.79 GAA (0.47) BCAT1GAASMN1; SMN2NPC1RAB9A
SCHEMBL1075871 0.77 MAPT (0.47) BCAT1NPC1RAB9AALDH1A1HPGD
SCHEMBL544268 0.75 NPC1 (0.47) BCAT1GAASMN1; SMN2NPC1RAB9A

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 63 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
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
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 US disclosed
US-20180360706-A1 Delivery Particles PROCTER & GAMBLE (US) 2018-12-20 US disclosed
EP-2308564-B1 Thickened hair colourant and bleaching compositions NOXELL CORP (US) 2018-12-19 EP disclosed
US-9993793-B2 Delivery particles THE PROCTER & GAMBLE COMPANY (US) 2018-06-12 US 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-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-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed
WO-2010084480-A2 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2010-07-29 WO disclosed
WO-2010079466-A2 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed
WO-2010079468-A2 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 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
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 (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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 BCAT1 4799/4885GAA 347/4885SMN1; SMN2 622/4885
US-20180360706-A1 Delivery Particles LIPA, CHMP4B, ABCB4 BCAT1 4721/4885GAA 384/4885SMN1; SMN2 516/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 BCAT1 4799/4885GAA 347/4885SMN1; SMN2 622/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 BCAT1 4799/4885GAA 347/4885SMN1; SMN2 622/4885
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX BCAT1 2209/4885GAA 3712/4885SMN1; 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.