SCHEMBL5154060

SCHEMBL5154060

Nc1nc(-c2nccs2)c(N)s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.50
ADORA2A P29274 10/20 0.49
ADORA1 P30542 10/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
NOS1 P29475 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSP90AA1 P07900 1/20 0.44
PDPK1 O15530 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ADORA3 P0DMS8 4/20 0.37
ADORA2B P29275 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL19637950 0.78 TGFBR1 (0.45) TGFBR1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL3400983 0.72 ECE1 (0.44) TGFBR1ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL6003629 0.71 ADORA2A (0.46) TGFBR1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL3838752 0.69 ADORA2A (0.53) TGFBR1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL1523918 0.69 PDPK1 (0.56) TGFBR1ADORA2AADORA1ALDH1A1HSP90AA1
SCHEMBL30253137 0.69 ADORA2A (0.67) TGFBR1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL102331 0.68 PDPK1 (0.59) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL17101464 0.68 ALDH1A1 (0.50) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL31374411 0.68 HSP90AA1 (0.56) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL5156992 0.68 ADORA2A (0.47) TGFBR1ADORA2AADORA1ALDH1A1TSHR

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
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 TGFBR1 3957/4885ADORA2A 4740/4885ADORA1 4715/4885

“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.