SCHEMBL4927697

SCHEMBL4927697

Cc1c(OCCN2CCOCC2)cc(Cl)cc1N1CCN(c2ncnc3c2c(C(F)(F)F)nn3OC(=O)C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.47
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
KMO O15229 2/20 0.35
AKT1 P31749 2/20 0.34
AKT2 P31751 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PDGFRB P09619 4/20 0.34
TLR7 Q9NYK1 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
KDR P35968 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL4930048 0.96 RPS6KB1 (0.43) RPS6KB1TSHRAKT1AKT2RPS6KA3
SCHEMBL4923196 0.94 RPS6KB1 (0.54) RPS6KB1AKT1AKT2RPS6KA3PDGFRB
SCHEMBL4931678 0.91 RPS6KB1 (0.49) RPS6KB1AKT1AKT2RPS6KA3PDGFRB
SCHEMBL4932132 0.90 RPS6KB1 (0.46) RPS6KB1AKT1AKT2RPS6KA3HTR2A
SCHEMBL4932837 0.90 RPS6KB1 (0.49) RPS6KB1AKT1AKT2RPS6KA3PDGFRB
SCHEMBL4923512 0.84 RPS6KB1 (0.52) RPS6KB1AKT1AKT2RPS6KA3PDGFRB
SCHEMBL4931171 0.83 RPS6KB1 (0.51) RPS6KB1TSHRAKT1AKT2RPS6KA3
SCHEMBL4923215 0.81 RPS6KB1 (0.52) RPS6KB1AKT1AKT2RPS6KA3TLR7
Trifluoroacetic Acid SCHEMBL4927690 0.81 RPS6KB1 (0.53) RPS6KB1KMOAKT1AKT2RPS6KA3
SCHEMBL1792212 0.79 RPS6KB1 (0.58) RPS6KB1POLBTSHRAKT1AKT2

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 13/4885POLB 2210/4885TSHR 2906/4885

“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.