SCHEMBL4933448

SCHEMBL4933448

Cc1ccc(Cl)cc1N1CCN(c2ncnc3c2c(CCCN2CCCC2)nn3OC(=O)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
RPS6KB1 P23443 9/20 0.44
LMNA P02545 3/20 0.42
TP53 P04637 3/20 0.42
GSK3B P49841 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4922205 0.85 RPS6KB1 (0.45) MAPTRPS6KB1LMNATP53MEN1
SCHEMBL4931225 0.85 RPS6KB1 (0.55) MAPTRPS6KB1
SCHEMBL4922386 0.82 RPS6KB1 (0.45) MAPTRPS6KB1LMNATP53
SCHEMBL4921827 0.81 RPS6KB1 (0.50) MAPTRPS6KB1LMNATP53
SCHEMBL4923215 0.81 RPS6KB1 (0.52) MAPTRPS6KB1LMNA
SCHEMBL4928666 0.81 RPS6KB1 (0.46) MAPTRPS6KB1LMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL4933444 0.79 RPS6KB1 (0.51) MAPTRPS6KB1TP53GSK3BALDH1A1
SCHEMBL4930049 0.79 RPS6KB1 (0.44) MAPTRPS6KB1LMNATP53
SCHEMBL4931678 0.79 RPS6KB1 (0.49) RPS6KB1ALDH1A1
SCHEMBL4931171 0.78 RPS6KB1 (0.51) MAPTRPS6KB1LMNAALDH1A1

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 MAPT 4051/4885RPS6KB1 13/4885LMNA 2304/4885

“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.