SCHEMBL5202308

SCHEMBL5202308

CC(=O)Nc1nc(-c2cccc(C)c2)c(-c2ccnc(C)n2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.53
ADORA2A P29274 3/20 0.49
ADORA1 P30542 2/20 0.49
PIK3CA P42336 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DYRK1A Q13627 1/20 0.44
KMO O15229 1/20 0.44
IKBKB O14920 1/20 0.43
MAPK13 O15264 1/20 0.43

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
SCHEMBL5200414 0.87 MAPT (0.53) MAPK14ADORA2AADORA1MAPTMEN1
SCHEMBL30899954 0.87 MAPT (0.53) MAPK14ADORA2AADORA1MAPTMEN1
SCHEMBL3900926 0.83 MAPK14 (0.62) MAPK14ADORA2AADORA1ALDH1A1MAPT
SCHEMBL3071322 0.82 ADORA3 (0.62) MAPK14ADORA2AADORA1ALDH1A1MAPT
SCHEMBL3894060 0.81 ALDH1A1 (0.54) MAPK14ADORA2AADORA1PIK3CAALDH1A1
SCHEMBL1889193 0.79 PIK3CG (0.58) PIK3CAALDH1A1MAPTMEN1KMT2A
SCHEMBL5200236 0.78 MAPK14 (0.50) MAPK14ALDH1A1MAPTMEN1KMT2A
SCHEMBL3902975 0.76 ADORA3 (0.53) MAPK14ADORA2AADORA1PIK3CAALDH1A1
SCHEMBL5202391 0.76 MAPK14 (0.59) MAPK14ADORA2AADORA1MEN1KMT2A
SCHEMBL12991137 0.76 PIK3CG (0.63) PIK3CAMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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 MAPK14 50/4885ADORA2A 1487/4885ADORA1 1594/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 MAPK14 14/4885ADORA2A 4636/4885ADORA1 4358/4885

“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.