SCHEMBL3879216

SCHEMBL3879216

Nc1cc2c3cc(N)c(N)cc3n(CCO)c2cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.34
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
MAT2A P31153 1/20 0.32
GAA P10253 1/20 0.32
WEE1 P30291 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHEK1 O14757 1/20 0.31
MEN1 O00255 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL3877497 0.88 MAPT (0.55) KDM4EHTTPOLBMAPTATM
SCHEMBL3877124 0.86 SRC (0.37) KDM4EHTTPOLBMAPTATM
SCHEMBL3885433 0.86 SRC (0.37) KDM4EHTTPOLBMAPTATM
SCHEMBL3886252 0.76 MAPT (0.51) KDM4EHTTPOLBMAPTATM
SCHEMBL3874987 0.76 MAPT (0.51) KDM4EHTTPOLBMAPTATM
SCHEMBL3878145 0.76 SRC (0.50) POLBMAPTATMALDH1A1LMNA
SCHEMBL3876518 0.75 KDM4E (0.47) KDM4EHTTPOLBMAPTATM
SCHEMBL3873275 0.71 KDM4E (0.37) KDM4EHTTPOLBMAPTATM
SCHEMBL3886086 0.69 WEE1 (0.36) KDM4EHTTALDH1A1LMNANUDT1
SCHEMBL3878322 0.69 PABPC1 (0.48) KDM4EHTTMAPTATMALDH1A1

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
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885HTT 3227/4885POLB 796/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885HTT 3227/4885POLB 796/4885

“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.