SCHEMBL4918784

SCHEMBL4918784

Cc1c[nH]c2ncnc(N3CCC(N)(CN(C)C(=O)c4ccccc4F)C3)c12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.73
RPS6KB1 P23443 1/20 0.49
AKT2 P31751 1/20 0.49
AKT3 Q9Y243 1/20 0.49
ROCK2 O75116 3/20 0.46
LIMK1 P53667 3/20 0.46
LIMK2 P53671 3/20 0.46
PRKACA P17612 2/20 0.46
PRKACG P22612 2/20 0.46
PRKACB P22694 2/20 0.46
ROCK1 Q13464 1/20 0.45

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
SCHEMBL4725547 0.83 AKT1 (0.73) AKT1ROCK2LIMK1LIMK2PRKACA
SCHEMBL4781104 0.80 AKT1 (0.87) AKT1RPS6KB1AKT2AKT3
SCHEMBL4780211 0.80 AKT1 (0.87) AKT1RPS6KB1AKT2AKT3
SCHEMBL4725763 0.80 AKT1 (0.64) AKT1ROCK2LIMK1LIMK2PRKACA
SCHEMBL4726159 0.79 AKT1 (0.85) AKT1RPS6KB1AKT2AKT3
SCHEMBL4921182 0.79 AKT1 (0.82) AKT1RPS6KB1AKT2AKT3
SCHEMBL4916836 0.78 AKT1 (0.85) AKT1RPS6KB1AKT2AKT3
SCHEMBL4914834 0.77 AKT1 (0.80) AKT1RPS6KB1AKT2AKT3
SCHEMBL4778850 0.77 AKT1 (0.88) AKT1RPS6KB1AKT2AKT3
SCHEMBL4726055 0.76 AKT1 (0.60) AKT1ROCK2LIMK1LIMK2PRKACA

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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 AKT1 752/4885RPS6KB1 1428/4885AKT2 1098/4885

“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.