SCHEMBL21769078

SCHEMBL21769078

CCN(CCc1ccc(O)cc1)C(=O)c1nc(Cl)nc2nc(C)sc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ESRRG P62508 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
TSPO P30536 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PIN1 Q13526 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
CRHR1 P34998 1/20 0.30
GLI1 P08151 1/20 0.30
GLI2 P10070 1/20 0.30

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
SCHEMBL21769079 0.78 NPC1 (0.46) ESRRGADORA2AADORA2B
SCHEMBL21769012 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL21768996 0.67 ALDH1A1 (0.43) ALDH1A1
Hydrochloric Acid SCHEMBL21768908 0.66 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6957896 0.64 ESR1 (0.46) ESR1ESR2ESRRGALDH1A1ALDH2
SCHEMBL21780006 0.64 MAPT (0.39) ESR1ALDH1A1
SCHEMBL21769073 0.62 KDM4E (0.32)
SCHEMBL21769082 0.61 CHRM4 (0.37) ALDH1A1ADORA2AADORA2B
SCHEMBL21769044 0.60 POLB (0.43) ALDH1A1ADORA2AADORA2B
SCHEMBL21768831 0.60 POLB (0.40) ALDH1A1ADORA2AADORA2B

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 HCRTR1 308/4885HCRTR2 171/4885ESR1 734/4885

“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.