SCHEMBL21769079

SCHEMBL21769079

Cc1nc2nc(Cl)nc(C(=O)NCCc3ccc(O)cc3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 5/20 0.44
ADORA2B P29275 1/20 0.44
KDM4E B2RXH2 1/20 0.43
F13A1 P00488 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
ESRRB O95718 3/20 0.42
ESRRG P62508 3/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL21780006 0.81 MAPT (0.39) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL21769078 0.78 HCRTR1 (0.34) ADORA2AADORA2BESRRG
SCHEMBL21769042 0.74 ADORA3 (0.39) ADORA2AADORA2BADORA3ADORA1
SCHEMBL21769039 0.74 ADORA3 (0.39) ADORA2AADORA2BADORA3ADORA1
SCHEMBL21768956 0.74 ADORA2A (0.77) ADORA2AADORA2BADORA3ADORA1
SCHEMBL28237052 0.72 CA12 (0.70) NPC1RAB9AMAPTCYP1A2GAA
SCHEMBL21769082 0.71 CHRM4 (0.37) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL21769012 0.69 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21768927 0.69 ADORA2A (0.42) NPC1RAB9ACYP2D6CYP2C19ADORA2A
Hydrochloric Acid SCHEMBL21768908 0.68 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2KDM4E

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 NPC1 1978/4885RAB9A 1944/4885MAPT 4799/4885

“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.