SCHEMBL6790593

SCHEMBL6790593

CCCC[Sn](CCCC)(CCCC)Cc1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
IDH1 O75874 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNN4 O15554 1/20 0.37
KCNA5 P22460 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
SCHEMBL6785580 0.80 CYP2A6 (0.52) CYP19A1HRH3
SCHEMBL923530 0.78 GLA (0.49) GLADRD2DRD3SCN8ACYP19A1
SCHEMBL921919 0.77 TSHR (0.56) GLADRD2DRD3
SCHEMBL5319709 0.76 TSHR (0.58) GLADRD2DRD3CNR1CNR2
SCHEMBL6785971 0.76 TAAR1 (0.46)
SCHEMBL6956952 0.76 TSHR (0.58) GLADRD2DRD3CNR1CNR2
SCHEMBL1396277 0.76 TAAR1 (0.46) DRD2CNR2SLC6A4SLC6A3
SCHEMBL921927 0.76 TSHR (0.58) GLADRD2DRD3CNR1CNR2
SCHEMBL28123652 0.76 CYP1A2 (0.50)
SCHEMBL15173796 0.76 TSHR (0.58) GLADRD2DRD3CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG GLA 4747/4885DRD2 2817/4885DRD3 3128/4885

“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.