SCHEMBL4758516

SCHEMBL4758516

CC(c1n[nH]c(N)c1C#N)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
JAK3 P52333 2/20 0.35
GAA P10253 3/20 0.31
GFER P55789 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
PLA2G2A P14555 1/20 0.30
PTK2B Q14289 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7335692 0.93 PRKACA (0.38) PRKACAPRKACGPRKACBJAK3
SCHEMBL4759856 0.74 PRKACA (0.41) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL7335690 0.71 PKM (0.38) PRKACAPRKACGPRKACB
SCHEMBL15273450 0.68 CHUK (0.45) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL4758470 0.67 CDK5 (0.41) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL31278318 0.65 PRKACA (0.46) PRKACAPRKACGPRKACBJAK3GAA
SCHEMBL15273365 0.65 PRKACA (0.42) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL1923507 0.63
SCHEMBL13859497 0.63 PRKACA (0.35) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL31277867 0.62 PRKACA (0.37) PRKACAPRKACGPRKACBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 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 (3 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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 PRKACA 1316/4885PRKACG 1453/4885PRKACB 1419/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 PRKACA 1316/4885PRKACG 1453/4885PRKACB 1419/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 PRKACA 1117/4885PRKACG 1360/4885PRKACB 1317/4885

“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.