SCHEMBL4181983

SCHEMBL4181983

CN1CCN(c2cccc(CC#N)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.60
ADRA2C P18825 1/20 0.54
HTR2A P28223 1/20 0.49
HTR6 P50406 1/20 0.49
PRMT6 Q96LA8 1/20 0.48
DRD2 P14416 3/20 0.47
HTR3A P46098 1/20 0.45
DRD3 P35462 2/20 0.45
TNIK Q9UKE5 1/20 0.44
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42
CTSL P07711 1/20 0.42
CTSK P43235 1/20 0.42
PAK1 Q13153 1/20 0.41
ENPP2 Q13822 1/20 0.41
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL7914920 0.85 PRMT6 (0.59) AGXTPRMT6DRD2DRD3ENPP2
SCHEMBL10237108 0.84 PRMT6 (0.62) AGXTPRMT6DRD2DRD3ENPP2
SCHEMBL3590202 0.83 AGXT (0.43) AGXTADRA2CHTR2AHTR6HTR3A
SCHEMBL12367104 0.82 PRMT6 (0.46) AGXTPRMT6DRD2DRD3ENPP2
SCHEMBL10237111 0.81 AGXT (0.60) AGXTADRA2CPRMT6PLOD2PLOD3
SCHEMBL5762489 0.81 DRD2 (0.62) HTR2AHTR6DRD2HTR3ADRD3
SCHEMBL3585755 0.80 NCF1 (0.55) ADRA2CHTR2AHTR6HTR3ACTSL
SCHEMBL8189615 0.80 AGXT (0.67) AGXTADRA2CPRMT6DRD2HTR3A
Hydrochloric Acid SCHEMBL6495634 0.80 DRD2 (0.60) HTR2AHTR6DRD2HTR3ADRD3
SCHEMBL4014464 0.80 MAPT (0.49) HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 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-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 AGXT 2534/4885ADRA2C 842/4885HTR2A 1835/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 AGXT 2534/4885ADRA2C 842/4885HTR2A 1835/4885

“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.