SCHEMBL4727192

SCHEMBL4727192

Cc1c[nH]c2ncnc(N3CC[C@](N)(CNc4cccc(F)c4)C3)c12

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.73
RPS6KB1 P23443 1/20 0.53
AKT2 P31751 1/20 0.53
AKT3 Q9Y243 1/20 0.53
LIMK2 P53671 2/20 0.49
ROCK2 O75116 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
LIMK1 P53667 1/20 0.49

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
SCHEMBL4727205 0.88 AKT1 (0.73) AKT1LIMK2ROCK2PRKACAPRKACG
SCHEMBL4725174 0.88 AKT1 (0.63) AKT1RPS6KB1AKT2AKT3LIMK2
SCHEMBL4780166 0.88 AKT1 (0.63) AKT1RPS6KB1AKT2AKT3LIMK2
SCHEMBL4777018 0.86 AKT1 (0.72) AKT1RPS6KB1AKT2AKT3
SCHEMBL4778241 0.86 AKT1 (0.60) AKT1AKT2LIMK2ROCK2PRKACA
SCHEMBL4777806 0.84 AKT1 (0.66) AKT1RPS6KB1AKT2AKT3
SCHEMBL4777860 0.84 AKT1 (0.66) AKT1RPS6KB1AKT2AKT3
SCHEMBL4725400 0.83 AKT1 (0.56) AKT1LIMK2ROCK2PRKACAPRKACG
SCHEMBL4909200 0.83 AKT1 (0.61) AKT1RPS6KB1AKT2AKT3
SCHEMBL4796413 0.83 AKT1 (0.74) 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 4 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 claimed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
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 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.