SCHEMBL6133422

SCHEMBL6133422

CC(C)n1nc(-c2sc(NC(=O)CNCc3cccnc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.42
ADORA1 P30542 10/20 0.42
XIAP P98170 2/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6134810 0.93 ADORA2A (0.47) ADORA2AADORA1XIAPADORA3ADORA2B
SCHEMBL6133284 0.91 ADORA2A (0.43) ADORA2AADORA1XIAPADORA3ADORA2B
SCHEMBL6133951 0.86 ADORA2A (0.45) ADORA2AADORA1XIAPALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6828734 0.85 ADORA2A (0.47) ADORA2AADORA1XIAPADORA3ADORA2B
SCHEMBL6133290 0.84 ADORA2A (0.58) ADORA2AADORA1XIAPRORC
SCHEMBL6133144 0.83 RAB9A (0.48) ALDH1A1POLBKDM4ELMNARAB9A
Hydrochloric Acid SCHEMBL6924932 0.83 ADORA2A (0.44) ADORA2AADORA1XIAPALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6829199 0.83 ADORA2A (0.44) ADORA2AADORA1XIAPALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6133657 0.83 ADORA2A (0.44) ADORA2AADORA1XIAPALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6133730 0.83 ADORA2A (0.46) ADORA2AADORA1XIAPALDH1A1KDM4E

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 3 patents. 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
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO 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 243/4885XIAP 4881/4885

“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.