SCHEMBL5508129

SCHEMBL5508129

CCc1nc2c(N)ccc(NCCO)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP2C19 P33261 2/20 0.32
CXCR2 P25025 1/20 0.31
KDM4E B2RXH2 3/20 0.31
CDK1 P06493 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PAK4 O96013 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
SCHEMBL5510983 0.81 GAA (0.34) JAK2JAK1TYK2KDRJAK3
SCHEMBL5508010 0.77 TLR8 (0.51) TLR8TLR7ALDH1A1GAAMAPK1
SCHEMBL5500602 0.76 TSHR (0.39) JAK2JAK1TYK2KDRJAK3
SCHEMBL5507645 0.72 IKBKB (0.41) CYP2C19KDM4ECDK1ALDH1A1GLA
SCHEMBL5507006 0.72 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL5505517 0.71 PAK4 (0.40) CYP2C19CXCR2KDM4ECDK1TSHR
SCHEMBL5507028 0.70 POLB (0.34) JAK2JAK1TYK2KDRJAK3
SCHEMBL5510300 0.70 KDM4E (0.40) TLR8TLR7KDM4EALDH1A1GAA
SCHEMBL13475603 0.69 CYP3A4 (0.43) KDM4ETSHRALDH1A1GAAHPGD
SCHEMBL5504477 0.68 TLR8 (0.37) TLR8TLR7

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-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 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-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSP, KRTCAP2 TLR8 3044/4885TLR7 2980/4885JAK2 4055/4885

“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.