SCHEMBL1920388

SCHEMBL1920388

CC(C)N(Cc1csc(N)c1C(=O)c1ccc(Cl)cc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.61
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PRKCZ Q05513 1/20 0.41
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1919406 0.84 ADORA1 (0.58) ADORA1MEN1KMT2ARAB9APRKCZ
SCHEMBL20280311 0.83 ADORA1 (0.66) ADORA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL1920063 0.83 ADORA1 (0.57) ADORA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL1919823 0.82 ADORA1 (0.56) ADORA1MEN1KMT2ARAB9AHTT
SCHEMBL1920278 0.80 ADORA1 (0.58) ADORA1MEN1KMT2ARAB9ALMNA
SCHEMBL4403983 0.79 ADORA1 (0.58) ADORA1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1919925 0.78 ADORA1 (0.57) ADORA1MEN1KMT2ARAB9APRKCZ
SCHEMBL1920576 0.78 ADORA1 (0.56) ADORA1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1497837 0.76 ADORA1 (1.00) ADORA1MEN1KMT2ARAB9APOLB
SCHEMBL1497891 0.76 ADORA1 (0.77) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108636-A1 Allosteric Enhancers of th A1 Adenosine Receptor KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2012-05-03 US claimed
US-20090281145-A1 ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2009-11-12 US claimed
US-20120108636-A1 Allosteric Enhancers of th A1 Adenosine Receptor KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2012-05-03 US disclosed
US-20120108636-A1 Allosteric Enhancers of th A1 Adenosine Receptor KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2012-05-03 US disclosed
US-20120108636-A1 Allosteric Enhancers of th A1 Adenosine Receptor KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2012-05-03 US disclosed
EP-2326175-A2 ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR King Pharmaceuticals Research and Development Inc. (US) 2011-06-01 EP disclosed
US-20090281145-A1 ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2009-11-12 US disclosed
US-20090281145-A1 ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2009-11-12 US disclosed
US-20090281145-A1 ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2009-11-12 US disclosed
WO-2009137782-A2 ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-11-12 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 (2 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-20120108636-A1 Allosteric Enhancers of th A1 Adenosine Receptor ADORA1, ADORA2A, TBXA2R ADORA1 1/4885MEN1 4579/4885KMT2A 2748/4885
US-20090281145-A1 ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885MEN1 4442/4885KMT2A 3013/4885

“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.