SCHEMBL6293363

SCHEMBL6293363

CCCC1=C(C(=O)OCC)C(c2cccc([N+](=O)[O-])c2Br)c2c[nH]nc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 10/20 0.46
CACNA1D Q01668 9/20 0.41
CACNA1F O60840 7/20 0.41
CACNA1S Q13698 7/20 0.41
ACHE P22303 1/20 0.40
ADORA3 P0DMS8 4/20 0.39
NR3C2 P08235 1/20 0.38
LMNA P02545 3/20 0.37
CYP1A2 P05177 3/20 0.37
ABCC4 O15439 2/20 0.37
ABCB11 O95342 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
OPRM1 P35372 2/20 0.37
SCN1A P35498 2/20 0.37
HTR2B P41595 2/20 0.37
KCNH2 Q12809 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 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
SCHEMBL6292231 0.91 ACHE (0.48) CACNA1CCACNA1DCACNA1FCACNA1SACHE
SCHEMBL7435633 0.90 CACNA1C (0.36) CACNA1CCACNA1DCACNA1FCACNA1SACHE
SCHEMBL7438969 0.90 CACNA1C (0.36) CACNA1CCACNA1DCACNA1FCACNA1SACHE
SCHEMBL6296626 0.89 CACNA1C (0.51) CACNA1CCACNA1DCACNA1FCACNA1SACHE
SCHEMBL6760937 0.88 CACNA1C (0.35) CACNA1CCACNA1DCACNA1FCACNA1SACHE
SCHEMBL6293602 0.87 NR3C2 (0.41) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL6296921 0.83 NR3C2 (0.44) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL6292206 0.83 NR3C2 (0.45) CACNA1DNR3C2ADORA2A
SCHEMBL6293447 0.82 CUL4A (0.38) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL6296991 0.81 NR3C2 (0.45) CACNA1DADORA3NR3C2LMNAADORA2A

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
US-6977262-B2 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-12-20 US claimed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 US claimed
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP claimed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO claimed
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
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 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-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof GSK3B, GSK3A, PYGB CACNA1C 358/4885CACNA1D 271/4885CACNA1F 575/4885

“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.