SCHEMBL4904170

SCHEMBL4904170

CCc1n[nH]c2ccc(-c3nnc(N[C@@H](CN)Cc4ccccc4)s3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.51
CDK2 P24941 12/20 0.47
PIM1 P11309 5/20 0.40
PIM3 Q86V86 4/20 0.40
PIM2 Q9P1W9 2/20 0.39
ROCK1 Q13464 2/20 0.37
CDC7 O00311 2/20 0.37
JAK2 O60674 2/20 0.37
ROCK2 O75116 2/20 0.37
MAP4K4 O95819 2/20 0.37
PRKACA P17612 2/20 0.37
GSK3B P49841 2/20 0.37
AURKB Q96GD4 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
PLK4 O00444 1/20 0.37
MAPK13 O15264 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL4895589 0.93 AKT1 (0.47) AKT1CDK2PIM1PIM3PIM2
SCHEMBL4900504 0.93 AKT1 (0.47) AKT1CDK2PIM1PIM3PIM2
SCHEMBL4900303 0.89 AKT1 (0.51) AKT1CDK2PIM1PIM3PIM2
SCHEMBL4900218 0.89 AKT1 (0.51) AKT1CDK2PIM1PIM3PIM2
SCHEMBL4895583 0.87 AKT1 (0.47) AKT1CDK2PIM1PIM3PIM2
SCHEMBL4900499 0.87 AKT1 (0.47) AKT1CDK2PIM1PIM3PIM2
SCHEMBL4901166 0.84 AKT1 (0.44) AKT1CDK2PIM1PIM3PIM2
SCHEMBL4901159 0.84 AKT1 (0.44) AKT1CDK2PIM1PIM3PIM2
SCHEMBL1600857 0.83 AKT1 (0.73) AKT1CDK2
SCHEMBL1600854 0.83 AKT1 (0.73) AKT1CDK2

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
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 64/4885PIM1 914/4885

“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.