SCHEMBL693077

SCHEMBL693077

CCCCn1nc(C#N)c(N)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
MAPK1 P28482 2/20 0.33
CTSK P43235 5/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1075720 0.95 ALDH1A1 (0.37) GRK6ALDH1A1KDM4EMAPTHPGD
SCHEMBL693498 0.95 ALDH1A1 (0.37) GRK6ALDH1A1KDM4EMAPTHPGD
SCHEMBL1075153 0.84 KDM4E (0.30) KDM4E
SCHEMBL3781653 0.79 ALDH1A1 (0.36) GRK6ALDH1A1KDM4EMAPTHPGD
SCHEMBL693304 0.79 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1030046 0.78 KDR (0.34) ALDH1A1CNR1CNR2TLR8
SCHEMBL3777245 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTHPGDCASP1
SCHEMBL6529244 0.76 KDM4E (0.33) ALDH1A1KDM4EMAPTHPGDCASP1
SCHEMBL11546078 0.76 GRK6 (0.42) GRK6ALDH1A1KDM4EMAPTHPGD
SCHEMBL2200208 0.75 TSHR (0.54) GRK6ALDH1A1KDM4EMAPTHPGD

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 GRK6 4118/4885ALDH1A1 1476/4885KDM4E 4662/4885
US-20180360706-A1 Delivery Particles LIPA, CHMP4B, ABCB4 GRK6 4067/4885ALDH1A1 1320/4885KDM4E 4706/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 GRK6 4118/4885ALDH1A1 1476/4885KDM4E 4662/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 GRK6 4118/4885ALDH1A1 1476/4885KDM4E 4662/4885
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX GRK6 3732/4885ALDH1A1 510/4885KDM4E 1326/4885

“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.