SCHEMBL4931508

SCHEMBL4931508

Cc1c(C(=O)O)cc(N2CCN(c3ncnc4[nH]nc(Br)c34)CC2)c(C)c1Br

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 14/20 0.42
AKT1 P31749 13/20 0.42
AKT2 P31751 1/20 0.40
RPS6KA3 P51812 1/20 0.40
LIMK2 P53671 3/20 0.36
TTR P02766 2/20 0.36

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
SCHEMBL4923498 0.80 LIMK2 (0.41) RPS6KB1AKT1LIMK2TTR
SCHEMBL1795146 0.80 TTR (0.53) RPS6KB1AKT1LIMK2TTR
SCHEMBL2299873 0.78 RPS6KB1 (0.56) RPS6KB1AKT1AKT2RPS6KA3LIMK2
SCHEMBL473445 0.77 MEN1 (0.39) RPS6KB1AKT1LIMK2
SCHEMBL2238454 0.77 AKT1 (0.43) AKT1AKT2LIMK2
SCHEMBL2301569 0.76 AKT1 (0.59) RPS6KB1AKT1LIMK2
SCHEMBL1790459 0.75 RPS6KB1 (0.70) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4922523 0.75 RPS6KB1 (0.55) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL1787788 0.74 RPS6KB1 (0.49) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL1793687 0.74 RPS6KB1 (0.50) RPS6KB1AKT1LIMK2TTR

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.