SCHEMBL4902111

SCHEMBL4902111

NC[C@@H](Cc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc3cnccc3c2)s1.N[C@H](Cc1ccc(Cl)cc1Cl)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.43
CDK2 P24941 7/20 0.43
SGK1 O00141 1/20 0.40
ROCK2 O75116 3/20 0.34
AKT3 Q9Y243 4/20 0.33
PRKACA P17612 2/20 0.33
PRKACG P22612 2/20 0.33
PRKACB P22694 2/20 0.33
AKT2 P31751 2/20 0.33
SRC P12931 2/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
CSNK2A2 P19784 1/20 0.33
MAPK1 P28482 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MET P08581 2/20 0.33
KIT P10721 1/20 0.33
PRKCA P17252 1/20 0.33
MAPK3 P27361 1/20 0.33

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
SCHEMBL4781683 0.92 AKT1 (0.41) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4781687 0.92 AKT1 (0.41) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4891438 0.87 AKT1 (0.49) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4895923 0.87 AKT1 (0.49) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4892503 0.81 AKT1 (0.46) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL14260957 0.79 AKT1 (0.44) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4781235 0.78 AKT1 (0.45) AKT1CDK2SGK1PRKACA
SCHEMBL4781239 0.78 AKT1 (0.45) AKT1CDK2SGK1PRKACA
SCHEMBL4781775 0.78 AKT1 (0.45) AKT1CDK2SGK1PRKACA
SCHEMBL1600571 0.76 AKT1 (0.69) AKT1CDK2SGK1

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR AKT1 26/4885CDK2 64/4885SGK1 467/4885

“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.