SCHEMBL3070883

SCHEMBL3070883

O=Cc1cnn2ccc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
SCN5A Q14524 1/20 0.35
DRD2 P14416 9/20 0.35
DRD1 P21728 9/20 0.35
DRD4 P21917 9/20 0.35
HTR2A P28223 9/20 0.35
DRD3 P35462 9/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CA2 P00918 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3647073 0.82 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBDRD2DRD1
SCHEMBL31595984 0.79 PIK3CA (0.38) PIK3CAPIK3CDPIK3CBDRD2DRD1
SCHEMBL3078971 0.76 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBDRD2DRD1
SCHEMBL22858313 0.76 ALDH1A1 (0.45) PIK3CASCN5APSEN1PSEN2APH1B
SCHEMBL28550637 0.76 SCN5A (0.38) PIK3CAPIK3CDPIK3CBSCN5APSEN1
SCHEMBL3065072 0.76 HTR2A (0.39) PIK3CAPIK3CDPIK3CBDRD2DRD1
SCHEMBL3073487 0.76 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBDRD2DRD1
SCHEMBL3075903 0.76 EPHB3 (0.44) PIK3CAPIK3CDPIK3CBDRD2DRD1
SCHEMBL31383583 0.76 SCN5A (0.38) PIK3CAPIK3CDPIK3CBSCN5APSEN1
SCHEMBL17323995 0.76 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBSCN5APSEN1

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 PIK3CA 410/4885PIK3CD 1820/4885PIK3CB 1107/4885

“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.