SCHEMBL21769082

SCHEMBL21769082

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.31
CYP1A2 P05177 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 0.81 ADORA3 (0.39) ADORA2AADORA3ADORA2B
SCHEMBL21769042 0.81 ADORA3 (0.39) ADORA2AADORA3ADORA2B
SCHEMBL21769012 0.79 ALDH1A1 (0.37) TSHRSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL21780006 0.78 MAPT (0.39) ALOX15RECQLCNR2CNR1SMN1; SMN2
Hydrochloric Acid SCHEMBL21768908 0.77 ALDH1A1 (0.36) TSHRSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL21768996 0.75 ALDH1A1 (0.43) TP53TSHRSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL21769044 0.73 POLB (0.43) TP53ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL21768831 0.73 POLB (0.40) ADORA2AADORA3ADORA2BALDH1A1MAPT
SCHEMBL21769079 0.71 NPC1 (0.46) CNR1SMN1; SMN2ADORA2AADORA3ADORA2B
SCHEMBL21769073 0.70 KDM4E (0.32) KDM4E

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-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
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 CHRM4 409/4885TP53 4216/4885ALOX15 782/4885

“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.