SCHEMBL3887355

SCHEMBL3887355

Cc1cc(C)cc(-c2nc(NC(=O)Nc3ccccc3)sc2-c2cc(C)nc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.53
ADORA3 P0DMS8 8/20 0.49
ADORA1 P30542 5/20 0.49
ADORA2A P29274 3/20 0.49
CHRM5 P08912 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADORA2B P29275 1/20 0.49
RAB9A P51151 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 4/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL3894679 0.91 LCK (0.48) LCKADORA3ADORA1ADORA2ARAB9A
SCHEMBL6278906 0.88 ADORA3 (0.64) LCKADORA3ADORA1ADORA2ACHRM5
SCHEMBL3891946 0.82 ALDH1A1 (0.53) LCKADORA3ADORA1ADORA2ACHRM5
SCHEMBL3886794 0.81 MAPK14 (0.55) LCKRAB9AMAPTMEN1KMT2A
SCHEMBL3897064 0.76 ADORA3 (0.83) ADORA3ADORA1ADORA2ACHRM5HTR2A
SCHEMBL3894060 0.75 ALDH1A1 (0.54) ADORA3ADORA1ADORA2ACHRM5HTR2A
SCHEMBL30899954 0.74 MAPT (0.53) LCKADORA3ADORA1ADORA2AADORA2B
SCHEMBL5200414 0.74 MAPT (0.53) LCKADORA3ADORA1ADORA2AADORA2B
SCHEMBL6282277 0.73 ADORA3 (0.82) LCKADORA3ADORA1ADORA2ACHRM5
SCHEMBL3896156 0.72 ADORA3 (0.54) LCKADORA3ADORA1ADORA2ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 LCK 391/4885ADORA3 1613/4885ADORA1 1594/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 LCK 108/4885ADORA3 3759/4885ADORA1 3999/4885

“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.