SCHEMBL21769042

SCHEMBL21769042

Cc1nc2nc(Cl)nc(C(=O)NCC(C)O)c2s1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.39
ADORA2A P29274 11/20 0.39
ADORA2B P29275 8/20 0.39
ADORA1 P30542 6/20 0.38
CFTR P13569 1/20 0.36
ACVR1 Q04771 1/20 0.34

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
SCHEMBL21769039 1.00 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1CFTR
SCHEMBL21780006 0.82 MAPT (0.39)
SCHEMBL21769082 0.81 CHRM4 (0.37) ADORA3ADORA2AADORA2B
SCHEMBL21769012 0.74 ALDH1A1 (0.37)
SCHEMBL21769079 0.74 NPC1 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL21768927 0.74 ADORA2A (0.42) ADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL21768908 0.73 ALDH1A1 (0.36)
SCHEMBL21768996 0.71 ALDH1A1 (0.43)
SCHEMBL21769044 0.67 POLB (0.43) ADORA3ADORA2AADORA2BADORA1
SCHEMBL21769073 0.66 KDM4E (0.32)

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-20200079793-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. 2020-03-12 US disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP 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-20200079793-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA2B 2/4885

“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.