SCHEMBL4930144

SCHEMBL4930144

CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)cc(OCC(OC(=O)C(F)(F)F)N(C)C)c4OC)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 17/20 0.39
AKT1 P31749 6/20 0.36
AKT2 P31751 3/20 0.36
RPS6KA3 P51812 3/20 0.36
PDGFRB P09619 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL4928920 0.86 RPS6KB1 (0.36) RPS6KB1AKT1AKT2RPS6KA3
Trifluoroacetic Acid SCHEMBL4930137 0.84 RPS6KB1 (0.52) RPS6KB1AKT1AKT2RPS6KA3HTR1A
SCHEMBL1792704 0.80 RPS6KB1 (0.59) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4923098 0.79 RPS6KB1 (0.37) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4923245 0.79 RPS6KB1 (0.48) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4931519 0.78 RPS6KB1 (0.48) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL5577231 0.78 RPS6KB1 (0.43) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4932473 0.78 RPS6KB1 (0.41) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL2293886 0.77 RPS6KB1 (0.41) RPS6KB1AKT1AKT2RPS6KA3HTR1A
SCHEMBL4926368 0.77 RPS6KB1 (0.45) RPS6KB1AKT1AKT2RPS6KA3

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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 RPS6KB1 13/4885AKT1 6/4885AKT2 7/4885

“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.