SCHEMBL6296533

SCHEMBL6296533

CCCC1=C(C(=O)OCC)C(c2ccccc2N)c2c[nH]nc2N1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.44
CACNA1D Q01668 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL6296991 0.90 NR3C2 (0.45) NR3C2CACNA1DADORA3HSD17B10ADORA2A
SCHEMBL6293708 0.89 CA1 (0.45) NR3C2CACNA1DADORA3HSD17B10ADORA2A
SCHEMBL6297228 0.88 MEN1 (0.44) NR3C2CACNA1DADORA3HSD17B10ALDH1A1
SCHEMBL6292289 0.88 TBXA2R (0.48) NR3C2CACNA1DADORA3HSD17B10ALDH1A1
SCHEMBL6296921 0.88 NR3C2 (0.44) NR3C2CACNA1DADORA3HSD17B10ADORA2A
SCHEMBL6297263 0.88 CACNA1C (0.49)
SCHEMBL6292394 0.88 DHFR (0.47) NR3C2CACNA1DADORA3ALDH1A1ADORA2A
SCHEMBL6292498 0.88 NR3C2 (0.45) NR3C2CACNA1DADORA3HSD17B10ALDH1A1
SCHEMBL6293692 0.87 NR3C2 (0.42) NR3C2CACNA1DADORA3HSD17B10ALDH1A1
SCHEMBL6292367 0.87 NR3C2 (0.49) NR3C2CACNA1DADORA3ALDH1A1ADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977262-B2 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-12-20 US disclosed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 US 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-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof GSK3B, GSK3A, PYGB NR3C2 2858/4885CACNA1D 271/4885ADORA3 561/4885

“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.