Cgs-21680

Cgs-21680

SCHEMBL13285993

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA3 P0DMS8 7/20 1.00
ADORA1 P30542 7/20 1.00
ADORA2B P29275 4/20 1.00
KDM4E B2RXH2 3/20 1.00
ALOX15 P16050 2/20 1.00
HSD17B10 Q99714 2/20 1.00
KMT2A Q03164 2/20 1.00
TSHR P16473 1/20 1.00
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
PMP22 Q01453 1/20 0.98
ATM Q13315 1/20 0.98

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
Cgs-21680 SCHEMBL12648395 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL14397691 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL3730487 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL2318561 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL724685 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL24178317 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL724684 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL19807521 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL26629876 0.99 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL29381841 0.99 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E

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-20100166698-A1 NEW COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-07-01 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-20100166698-A1 NEW COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 4/4885

“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.