SCHEMBL6133876

SCHEMBL6133876

CCN(CC)CCNCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.45
ADORA1 P30542 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALK Q9UM73 1/20 0.39
ADORA3 P0DMS8 6/20 0.39
HPGD P15428 2/20 0.39
XIAP P98170 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL6133770 0.90 ADORA2A (0.46) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
SCHEMBL6133582 0.90 ADORA2A (0.43) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
SCHEMBL6133275 0.89 ADORA1 (0.45) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
SCHEMBL6134793 0.88 ADORA2A (0.45) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
Hydrochloric Acid SCHEMBL6133342 0.86 ADORA2A (0.42) ADORA2AADORA1KMT2AMAPTKDM4E
SCHEMBL6133433 0.86 ADORA2A (0.48) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
SCHEMBL6133807 0.85 SMN1; SMN2 (0.46) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
SCHEMBL6133816 0.84 HDAC1 (0.52) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
SCHEMBL6133384 0.84 ADORA2A (0.50) ADORA2AADORA1SMN1; SMN2KMT2AMAPT
SCHEMBL6134302 0.84 PHGDH (0.46) ADORA2AADORA1SMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ADORA2A 635/4885ADORA1 243/4885SMN1; SMN2 3135/4885

“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.