SCHEMBL1104747

SCHEMBL1104747

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

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.82
ADORA3 P0DMS8 7/20 0.82
ADORA1 P30542 7/20 0.82
ADORA2B P29275 4/20 0.82
KDM4E B2RXH2 3/20 0.82
ALOX15 P16050 2/20 0.82
HSD17B10 Q99714 2/20 0.82
KMT2A Q03164 2/20 0.82
TSHR P16473 1/20 0.82
MEN1 O00255 1/20 0.82
ALDH1A1 P00352 1/20 0.82
CYP2D6 P10635 1/20 0.82
CYP2C19 P33261 1/20 0.82
PMP22 Q01453 1/20 0.81
ATM Q13315 1/20 0.81

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
SCHEMBL1104743 0.94 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL29354597 0.93 ADORA2A (0.83) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL8095238 0.93 ADORA2A (0.83) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL10089214 0.92 ADORA2A (0.88) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL13259762 0.92 ADORA2A (0.88) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL8923545 0.92 ADORA2A (0.88) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL8925079 0.92 ADORA2A (0.88) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL1104744 0.90 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BKDM4E
Cgs-21680 SCHEMBL24178317 0.90 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL20615307 0.90 ADORA2A (0.88) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153781-B2 Dendrimer conjugates of agonists and antagonists of the GPCR superfamily THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-10 US disclosed
US-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-01-08 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-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA3 3/4885ADORA1 1/4885

“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.