SCHEMBL5455584

SCHEMBL5455584

Nc1cc2c(s1)COCC2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.38
PDK1 Q15118 1/20 0.34
CFTR P13569 1/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 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
SCHEMBL14930416 0.76 PNMT (0.43) LIMK1PDK1CFTR
SCHEMBL19441931 0.73 KCNH2 (0.35) LIMK1PDK1
SCHEMBL22817550 0.72 PRKDC (0.36) PDK1
SCHEMBL14925534 0.72 PRKDC (0.36) PDK1CFTR
SCHEMBL14205894 0.70
SCHEMBL32687001 0.66 MAPK1 (0.41)
SCHEMBL30130749 0.65 PTGER4 (0.41)
SCHEMBL16809691 0.64 FBP1 (0.34) PDK1
SCHEMBL5456315 0.64
SCHEMBL21067434 0.63 RAB9A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 LIMK1 3271/4885PDK1 353/4885CFTR 2030/4885

“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.