SCHEMBL5036641

SCHEMBL5036641

Cc1c(N)[nH]c2nc(N)sc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.48
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.37
NOS1 P29475 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL5039659 0.75 RPS6KA3 (0.44) RPS6KA3HSD17B10MAPTMAPK1GAA
SCHEMBL14454806 0.67 RPS6KA3 (0.44) RPS6KA3HSD17B10MAPTMAPK1GAA
SCHEMBL3755970 0.65 RPS6KA3 (1.00) RPS6KA3HSD17B10MAPTGAASMN1; SMN2
SCHEMBL6866810 0.63 RPS6KA3 (0.53) RPS6KA3
SCHEMBL5040170 0.61 MAPT (0.41) HSD17B10MAPTTYMP
SCHEMBL5040395 0.61 HSD17B10 (0.69) RPS6KA3HSD17B10MAPTMAPK1GAA
SCHEMBL4752792 0.61 RPS6KA3 (0.47) RPS6KA3HSD17B10MAPTMAPK1GAA
SCHEMBL3500620 0.59 RPS6KA3 (0.41) RPS6KA3HSD17B10MAPTMAPK1GAA
SCHEMBL5046291 0.58 NUDT1 (0.36) TYMP
SCHEMBL10334317 0.58 HTT (0.58) HSD17B10MAPTMAPK1GAAHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B RPS6KA3 3635/4885HSD17B10 342/4885MAPT 439/4885

“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.