SCHEMBL4178625

SCHEMBL4178625

COc1ccccc1-c1cn[nH]c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.65
ALDH1A1 P00352 6/20 0.65
MAPK1 P28482 2/20 0.65
HTT P42858 1/20 0.65
GFER P55789 1/20 0.65
KDM4E B2RXH2 4/20 0.58
MAPT P10636 5/20 0.54
SIRT5 Q9NXA8 1/20 0.54
LMNA P02545 1/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX12 P18054 2/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
METAP2 P50579 1/20 0.50
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL30697968 0.81 KMT2A (0.59) GAAALDH1A1MAPK1GFERKDM4E
SCHEMBL16120765 0.78 KDM4E (0.60) GAAALDH1A1MAPK1HTTGFER
SCHEMBL29788337 0.74 CA1 (0.71) GAAALDH1A1MAPK1HTTKDM4E
SCHEMBL29429633 0.74 CA1 (0.71) GAAALDH1A1MAPK1HTTKDM4E
SCHEMBL301996 0.74 CA1 (0.71) GAAALDH1A1MAPK1HTTKDM4E
SCHEMBL1423967 0.73 KDM4E (1.00) GAAALDH1A1MAPK1HTTGFER
SCHEMBL28402110 0.73 SIRT5 (0.65) GAAALDH1A1MAPK1KDM4EMAPT
SCHEMBL12614573 0.73
SCHEMBL3643541 0.72 CA1 (0.67) GAAALDH1A1MAPK1HTTKDM4E
SCHEMBL29740506 0.72 CA1 (0.67) GAAALDH1A1MAPK1HTTKDM4E

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 GAA 3955/4885ALDH1A1 578/4885MAPK1 1136/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 GAA 651/4885ALDH1A1 1515/4885MAPK1 104/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 GAA 651/4885ALDH1A1 1515/4885MAPK1 104/4885

“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.