SCHEMBL4926404

SCHEMBL4926404

CCc1nn(OC(=O)C(F)(F)F)c2ncnc(N3CCN(c4cc(Cl)cc(OCCC5CCN(C)CC5)c4C)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 12/20 0.43
AKT1 P31749 4/20 0.33
AKT2 P31751 2/20 0.32
RPS6KA3 P51812 2/20 0.32
HTR2C P28335 1/20 0.32
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 2/20 0.32
EIF4EBP1 Q13541 1/20 0.32
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4925268 0.94 RPS6KB1 (0.40) RPS6KB1AKT1AKT2RPS6KA3HTR2C
Trifluoroacetic Acid SCHEMBL4926398 0.81 RPS6KB1 (0.48) RPS6KB1AKT1AKT2RPS6KA3EGFR
SCHEMBL4931171 0.81 RPS6KB1 (0.51) RPS6KB1AKT1AKT2RPS6KA3ALDH1A1
SCHEMBL4932132 0.80 RPS6KB1 (0.46) RPS6KB1AKT1AKT2RPS6KA3HTR2C
SCHEMBL4923196 0.79 RPS6KB1 (0.54) RPS6KB1AKT1AKT2RPS6KA3MAPT
SCHEMBL4931225 0.78 RPS6KB1 (0.55) RPS6KB1AKT1AKT2RPS6KA3MAPT
SCHEMBL4931678 0.78 RPS6KB1 (0.49) RPS6KB1AKT1AKT2RPS6KA3ALDH1A1
SCHEMBL1790333 0.78 RPS6KB1 (0.54) RPS6KB1AKT1AKT2RPS6KA3EGFR
SCHEMBL4927697 0.78 RPS6KB1 (0.47) RPS6KB1AKT1AKT2RPS6KA3HTR2C
SCHEMBL4923512 0.78 RPS6KB1 (0.52) RPS6KB1AKT1AKT2RPS6KA3MAPT

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-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
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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-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.