SCHEMBL6133938

SCHEMBL6133938

CC(C)n1nc(-c2sc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.50
KIT P10721 1/20 0.50
FLT3 P36888 1/20 0.50
HDAC1 Q13547 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 1/20 0.45
TNIK Q9UKE5 1/20 0.45
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44

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
SCHEMBL6134552 0.94 SMN1; SMN2 (0.49) ALKKITFLT3HDAC1ADORA2A
SCHEMBL6133110 0.93 SMN1; SMN2 (0.49) ALKKITFLT3HDAC1ADORA2A
SCHEMBL6134455 0.92 HIF1A (0.48) ALKHDAC1ADORA2AADORA1TNIK
SCHEMBL6133384 0.88 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL6133303 0.86 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL6133349 0.85 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL6133816 0.85 HDAC1 (0.52) HDAC1ADORA2AADORA1
SCHEMBL6133433 0.85 ADORA2A (0.48) ADORA2AADORA1
Hydrochloric Acid SCHEMBL6133681 0.85 ALDH1A1 (0.49) KITADORA2AADORA1TRPV4
SCHEMBL6133807 0.84 SMN1; SMN2 (0.46) HDAC1ADORA2AADORA1TRPV4

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 ALK 66/4885KIT 3360/4885FLT3 126/4885

“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.