SCHEMBL3077239

SCHEMBL3077239

C=Cc1ccn2ncc(C=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
DRD2 P14416 12/20 0.38
DRD4 P21917 12/20 0.38
DRD3 P35462 12/20 0.38
DRD1 P21728 11/20 0.38
HTR2A P28223 11/20 0.38
TGFBR1 P36897 1/20 0.33
DRD5 P21918 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CB P42338 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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 0.77 PIK3CA (0.42) PIK3CADRD2DRD4DRD3DRD1
SCHEMBL3064017 0.77 PIK3CA (0.44) PIK3CADRD2DRD4DRD3DRD1
SCHEMBL3076808 0.77 DRD2 (0.36) PIK3CADRD2DRD4DRD3DRD1
SCHEMBL3075903 0.77 EPHB3 (0.44) PIK3CADRD2DRD4DRD3DRD1
SCHEMBL31595984 0.77 PIK3CA (0.38) PIK3CADRD2DRD4DRD3DRD1
SCHEMBL3073487 0.77 PIK3CA (0.43) PIK3CADRD2DRD4DRD3DRD1
SCHEMBL3065072 0.77 HTR2A (0.39) PIK3CADRD2DRD4DRD3DRD1
SCHEMBL31596020 0.75 DRD2 (0.36) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3070335 0.74 PIK3CA (0.50) PIK3CAPIK3CDPIK3CB
SCHEMBL3069691 0.73 HTR2A (0.51) PIK3CADRD2DRD4DRD3DRD1

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 7 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
EP-2183239-A1 SULFONAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-05-12 EP 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-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 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 410/4885DRD2 4232/4885DRD4 4091/4885

“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.