SCHEMBL3076808

SCHEMBL3076808

Nc1ccn2ncc(C=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.36
DRD4 P21917 12/20 0.36
DRD3 P35462 12/20 0.36
DRD1 P21728 11/20 0.36
HTR2A P28223 11/20 0.36
PIK3CA P42336 5/20 0.32
PIK3CD O00329 4/20 0.32
PIK3CB P42338 2/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
CSNK1A1 P48729 1/20 0.31
GSK3A P49840 1/20 0.31
LIMK1 P53667 1/20 0.31
IKBKE Q14164 1/20 0.31
MAPK14 Q16539 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
DRD5 P21918 1/20 0.31

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
SCHEMBL3078971 0.79 PIK3CA (0.42) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3064017 0.79 PIK3CA (0.44) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3073487 0.79 PIK3CA (0.43) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3075903 0.79 EPHB3 (0.44) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL31595984 0.79 PIK3CA (0.38) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3065072 0.79 HTR2A (0.39) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3082771 0.78 PIK3CA (0.45) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3070335 0.77 PIK3CA (0.50) PIK3CAPIK3CDPIK3CB
SCHEMBL3077239 0.77 PIK3CA (0.43) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3078005 0.76 PIK3CA (0.44) DRD2DRD4DRD3DRD1HTR2A

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
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP claimed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 WO claimed
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP disclosed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 WO disclosed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 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 (1 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-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY TP53, PNPO, DPYD DRD2 4232/4885DRD4 4091/4885DRD3 4145/4885

“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.