SCHEMBL4758019

SCHEMBL4758019

CC(c1ccccc1)c1[nH]nc(N)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
GRM5 P41594 1/20 0.40
CDK5R1 Q15078 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
ADORA2A P29274 5/20 0.37
ADORA1 P30542 4/20 0.37
KDM4E B2RXH2 5/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 4/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
MAP2K1 Q02750 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
AKT2 P31751 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
SCHEMBL4758470 0.76 CDK5 (0.41) CDK5DYRK1AGRM5CDK5R1ALDH1A1
SCHEMBL23500956 0.74 KDM4E (0.41) CDK5DYRK1AGRM5ALDH1A1HTT
SCHEMBL6218467 0.73 ALDH1A1 (0.40) ALDH1A1HTTADORA2AADORA1KDM4E
SCHEMBL5331431 0.69 MAPK1 (0.58) CDK5DYRK1AGRM5CDK5R1ALDH1A1
SCHEMBL6071941 0.68 KDM4E (0.47) ALDH1A1HTTADORA2AADORA1KDM4E
SCHEMBL8993033 0.66 MAPK1 (0.53) CDK5ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10700367 0.65 TSHR (0.54) ALDH1A1
SCHEMBL17071852 0.65 TSHR (0.54) ALDH1A1
SCHEMBL17071848 0.65 TSHR (0.54) ALDH1A1
SCHEMBL6071934 0.65 KDM4E (0.47) ALDH1A1HTTADORA2AADORA1KDM4E

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 12 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-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 2469/4885GRM5 905/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 CDK5 1886/4885DYRK1A 2469/4885GRM5 905/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 CDK5 2297/4885DYRK1A 2359/4885GRM5 875/4885

“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.