SCHEMBL4065003

SCHEMBL4065003

NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3ccsc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 14/20 0.65
AKT1 P31749 5/20 0.65
ROCK2 O75116 1/20 0.65
CYP2C9 P11712 1/20 0.65
KCNH2 Q12809 1/20 0.65
AKT3 Q9Y243 1/20 0.65
KIT P10721 1/20 0.47
RPS6KB1 P23443 3/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL4247478 0.81 AKT2 (0.59) AKT2AKT1ROCK2CYP2C9KIT
SCHEMBL2779642 0.79 AKT2 (0.74) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL19753047 0.79 AKT2 (0.71) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL19228430 0.78 RPS6KB1 (0.69) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL1001031 0.78 AKT2 (1.00) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL2780589 0.78 AKT2 (1.00) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL13885868 0.78 AKT2 (0.74) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL19228241 0.77 RPS6KB1 (0.70) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL13885616 0.76 AKT2 (0.68) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL2782629 0.76 AKT2 (0.68) AKT2AKT1ROCK2CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
EP-2013206-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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-20090124610-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, CDK1 AKT2 43/4885AKT1 72/4885ROCK2 96/4885

“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.