SCHEMBL4171966

SCHEMBL4171966

COc1ccc(N2CCN(C)CC2)cc1-c1cn[nH]c1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
FYN P06241 3/20 0.47
MAP4K1 Q92918 3/20 0.44
SIRT6 Q8N6T7 1/20 0.43
TGFBR1 P36897 3/20 0.43
ACVR1 Q04771 3/20 0.43
IL2 P60568 1/20 0.43
LCK P06239 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HTR6 P50406 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL4169163 0.90 GAA (0.59) KDM4EGAAALDH1A1MAPK1HTT
SCHEMBL3588113 0.78 MAPT (0.51) KDM4EGAAALDH1A1GFERFYN
SCHEMBL3580409 0.76 ADRA2C (0.54) KDM4EGAAMAPK1HTTLCK
SCHEMBL3577145 0.75 GAA (0.48) KDM4EGAAALDH1A1MAPK1HTT
SCHEMBL1527171 0.74 MAPT (0.58) KDM4EGAAALDH1A1MAPK1HTT
SCHEMBL30595859 0.74 MAPT (0.58) KDM4EGAAALDH1A1MAPK1HTT
SCHEMBL13243994 0.72 SIRT6 (0.63) KDM4EGAAALDH1A1MAPK1HTT
SCHEMBL438444 0.71 MAPT (0.63) KDM4EGAAALDH1A1MAPK1HTT
SCHEMBL29446146 0.71 MAPT (0.63) KDM4EGAAALDH1A1MAPK1HTT
Hydrochloric Acid SCHEMBL3504109 0.70 MAPT (0.61) KDM4EGAAALDH1A1MAPK1HTT

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-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 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 (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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 KDM4E 2164/4885GAA 3955/4885ALDH1A1 578/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885GAA 651/4885ALDH1A1 1515/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885GAA 651/4885ALDH1A1 1515/4885

“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.