SCHEMBL4726085

SCHEMBL4726085

Cc1ccnc(NC[C@@]2(N)CCN(c3ccnc4[nH]cc(Cl)c34)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.44
CDC42BPB Q9Y5S2 11/20 0.44
ROCK2 O75116 6/20 0.44
CDC42BPA Q5VT25 2/20 0.44
AKT1 P31749 9/20 0.44

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
SCHEMBL4918210 0.83 AKT1 (0.43) ROCK1CDC42BPBROCK2CDC42BPAAKT1
SCHEMBL4725770 0.83 AKT1 (0.43) ROCK1CDC42BPBROCK2CDC42BPAAKT1
SCHEMBL4781944 0.79 AKT1 (0.62) AKT1
SCHEMBL4782326 0.73 AKT1 (0.60) AKT1
SCHEMBL4778683 0.71 AKT1 (0.57) AKT1
SCHEMBL4910957 0.70 AKT1 (0.67) AKT1
SCHEMBL4725273 0.69 AKT1 (0.60) AKT1
SCHEMBL4776709 0.69 AKT1 (0.59) AKT1
SCHEMBL4782370 0.69 AKT1 (0.54) AKT1
SCHEMBL4920000 0.67 AKT2 (0.69) AKT1

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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 ROCK1 215/4885CDC42BPB 2238/4885ROCK2 680/4885

“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.