SCHEMBL3082772

SCHEMBL3082772

COC(=O)c1ccn2ncc(C=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
ALDH1A1 P00352 4/20 0.42
ERN1 O75460 8/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
HTR2A P28223 2/20 0.42
DRD3 P35462 2/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
JMJD6 Q6NYC1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
XDH P47989 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL3082758 0.82 UNG (0.38) PIK3CDPIK3CAALDH1A1ERN1DRD2
SCHEMBL15739719 0.81 PIK3CD (0.46) PIK3CDPIK3CAALDH1A1JMJD6CA12
SCHEMBL19786566 0.81 EPHB3 (0.44) PIK3CDPIK3CAALDH1A1JMJD6CA12
SCHEMBL3082771 0.81 PIK3CA (0.45) PIK3CAALDH1A1ERN1DRD2DRD1
SCHEMBL24338017 0.80 EPHB3 (0.44) PIK3CDPIK3CAALDH1A1JMJD6CA12
SCHEMBL30204308 0.80 PIK3CD (0.41) PIK3CDPIK3CAALDH1A1HCRTR1HCRTR2
SCHEMBL21818039 0.80 CYP1A2 (0.45) PIK3CDPIK3CAJMJD6CA12CA1
SCHEMBL15717897 0.80 KDM4E (0.43) PIK3CDPIK3CAALDH1A1JMJD6CA12
SCHEMBL24338887 0.77 PIK3CD (0.39) PIK3CDPIK3CAALDH1A1JMJD6CA12
SCHEMBL3069691 0.77 HTR2A (0.51) PIK3CAALDH1A1ERN1DRD2DRD1

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 PIK3CD 1820/4885PIK3CA 410/4885ALDH1A1 588/4885

“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.