SCHEMBL6133691

SCHEMBL6133691

CC(C)n1nc(-c2sc(NC(=O)CCNCc3ccccn3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.46
ADORA1 P30542 9/20 0.46
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XIAP P98170 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
Hydrochloric Acid SCHEMBL6828734 0.92 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL6133468 0.85 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL6134025 0.85 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL6133428 0.83 ALDH1A1 (0.47) ADORA2AADORA1KMT2AKDM4EHSD17B10
SCHEMBL6133361 0.83 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6133283 0.83 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL6133409 0.82 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL6134249 0.81 TSHR (0.46) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6133789 0.81 ALDH1A1 (0.48) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6134810 0.81 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BKDM4E

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 243/4885ADORA3 257/4885

“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.