SCHEMBL4928827

SCHEMBL4928827

CCN(CC)C(CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)ccc4C)CC3)c12)OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 10/20 0.47
MAPT P10636 5/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
RPS6KA3 P51812 1/20 0.36
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL4921597 0.83 RPS6KB1 (0.52) RPS6KB1MAPTTP53LMNAMEN1
SCHEMBL4931561 0.83 RPS6KB1 (0.52) RPS6KB1MAPTTP53LMNAMEN1
SCHEMBL4929024 0.82 RPS6KB1 (0.45) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4930176 0.82 RPS6KB1 (0.49) RPS6KB1MAPTTP53LMNAAKT1
Trifluoroacetic Acid SCHEMBL4928816 0.81 RPS6KB1 (0.50) RPS6KB1MAPTTP53LMNAAKT1
Trifluoroacetic Acid SCHEMBL4921592 0.81 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNAKMT2A
Trifluoroacetic Acid SCHEMBL4931558 0.80 RPS6KB1 (0.54) RPS6KB1MAPTTP53LMNAKMT2A
SCHEMBL1790570 0.79 RPS6KB1 (0.70) RPS6KB1MAPTTP53LMNAAKT1
SCHEMBL4922731 0.78 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNAKMT2A
Trifluoroacetic Acid SCHEMBL4933444 0.77 RPS6KB1 (0.51) RPS6KB1MAPTTP53AKT1

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 13/4885MAPT 4051/4885TP53 740/4885

“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.