SCHEMBL4758470

SCHEMBL4758470

CC(c1ccccc1)c1n[nH]c(N)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CDK5R1 Q15078 1/20 0.41
ALDH1A1 P00352 7/20 0.38
HTT P42858 4/20 0.38
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 5/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 3/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
GRM5 P41594 1/20 0.35
PLA2G2A P14555 1/20 0.35

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
SCHEMBL4758019 0.76 CDK5 (0.41) CDK5DYRK1ACDK5R1ALDH1A1HTT
SCHEMBL4759856 0.74 PRKACA (0.41) CDK5DYRK1ACDK5R1KDM4EGAA
SCHEMBL6071934 0.71 KDM4E (0.47) ALDH1A1HTTKDM4EHSD17B10KMT2A
SCHEMBL2645516 0.70 ADORA1 (0.58) CDK5DYRK1ACDK5R1ALDH1A1KDM4E
SCHEMBL6218467 0.70 ALDH1A1 (0.40) ALDH1A1HTTKDM4EHSD17B10KMT2A
SCHEMBL11699511 0.67 CDK5 (0.44) CDK5DYRK1ACDK5R1ALDH1A1HTT
SCHEMBL4758516 0.67 PRKACA (0.42) GAAGFERPRKACAPRKACGPRKACB
SCHEMBL8916628 0.66 PARP1 (0.44) CDK5DYRK1ACDK5R1ALDH1A1KDM4E
SCHEMBL3601250 0.66 GAA (0.59) CDK5DYRK1ACDK5R1ALDH1A1KMT2A
SCHEMBL6071941 0.65 KDM4E (0.47) ALDH1A1HTTKDM4EHSD17B10KMT2A

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 14 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
EP-1499614-A4 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2005-08-24 EP disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO 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
WO-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed
WO-2000015231-A1 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RESEARCH INC. (US) 2000-03-23 WO disclosed
WO-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 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 (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 CDK5 1886/4885DYRK1A 2469/4885CDK5R1 699/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 CDK5 1886/4885DYRK1A 2469/4885CDK5R1 699/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 CDK5 2297/4885DYRK1A 2359/4885CDK5R1 741/4885

“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.