SCHEMBL4766057

SCHEMBL4766057

O=Cc1cnn(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.48
ADORA2A P29274 8/20 0.48
ADORA1 P30542 7/20 0.48
ADORA3 P0DMS8 7/20 0.48
SCD5 Q86SK9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ALK Q9UM73 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
PLK4 O00444 1/20 0.43
CDK2 P24941 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
CSNK1G3 Q9Y6M4 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4771623 0.82 SCD (0.50) ADORA2BADORA2AADORA1ADORA3SCD5
SCHEMBL30376503 0.80 ALDH1A1 (0.55) ADORA2BADORA2AADORA1ADORA3SCD5
SCHEMBL3609013 0.80 MEN1 (0.59) ADORA2BADORA2AADORA1ADORA3SCD5
SCHEMBL24214370 0.80 ALDH1A1 (0.55) ADORA2BADORA2AADORA1ADORA3SCD5
SCHEMBL17094884 0.80 MEN1 (0.49) KDM4EALKMAPTPOLBL3MBTL1
SCHEMBL20658807 0.78 L3MBTL1 (0.55) ADORA2AADORA1SCD5POLBL3MBTL1
SCHEMBL2822182 0.78 ALK (0.48) ADORA2BADORA2AADORA1ADORA3SCD5
SCHEMBL1244985 0.78 L3MBTL1 (0.57) ADORA2AADORA1ALDH1A1MAPTPOLB
SCHEMBL25911631 0.78 LOXL2 (0.46)
SCHEMBL243561 0.78 POLB (0.56) ADORA2BADORA2AADORA1ADORA3SCD5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
CN-1890241-A A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2007-01-03 CN disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.