SCHEMBL21769044

SCHEMBL21769044

Cc1nc2nc(Cl)nc(C(=O)N3CCCC3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 4/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
CCKBR P32239 1/20 0.35
TP53 P04637 1/20 0.34
ADORA2A P29274 6/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 2/20 0.34
KMT2A Q03164 2/20 0.34
ADORA2B P29275 3/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL21768831 0.97 POLB (0.40) POLBHPGDALDH1A1MAPTNPC1
SCHEMBL21769004 0.82 ADORA2B (0.40) ADORA2AADORA3ADORA2B
SCHEMBL21769007 0.82 ADORA2B (0.40) ADORA2AADORA3ADORA2B
SCHEMBL21769012 0.77 ALDH1A1 (0.37) POLBHPGDALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL21768908 0.76 ALDH1A1 (0.36) HPGDALDH1A1NPC1RAB9AKDM4E
SCHEMBL21769082 0.73 CHRM4 (0.37) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL20785166 0.72 HPGD (0.47) HPGDALDH1A1MAPTTP53ADORA2A
SCHEMBL21768996 0.71 ALDH1A1 (0.43) HPGDALDH1A1MAPTNPC1TP53
SCHEMBL21780006 0.69 MAPT (0.39) POLBHPGDALDH1A1MAPTNPC1
SCHEMBL1193927 0.66 KDR (0.32) NPC1RAB9A

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 POLB 2556/4885HPGD 1273/4885ALDH1A1 769/4885

“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.