SCHEMBL3464940

SCHEMBL3464940

CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 1.00
ADORA1 P30542 17/20 1.00
ADORA2A P29274 16/20 1.00
ADORA3 P0DMS8 5/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
KMT2A Q03164 1/20 0.71
HSD17B10 Q99714 1/20 0.71

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
SCHEMBL661108 0.84 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL1945925 0.83 ADORA2A (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL2533013 0.82 ADORA2B (0.70) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL1946606 0.82 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL1946601 0.81 ADORA2A (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL12245131 0.81 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4763899 0.81 ADORA2A (0.67) ADORA2BADORA1ADORA2AADORA3
SCHEMBL238937 0.80 ADORA2B (0.67) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL1945555 0.80 ADORA2B (0.75) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL1947598 0.80 ADORA2B (0.74) ADORA2BADORA1ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-20100222300-A1 A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-09-02 US disclosed
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-12-25 US disclosed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US 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 (4 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-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885

“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.