SCHEMBL4921701

SCHEMBL4921701

Cc1c(Br)cc(S)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ACP1 P24666 2/20 0.32

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
SCHEMBL13429875 0.73 LMNA (0.41) TSHR
SCHEMBL13429796 0.73 APEX1 (0.53)
SCHEMBL13086842 0.73 APEX1 (0.53) TSHRACP1
SCHEMBL642403 0.73 TSHR (0.47) TSHRACP1
SCHEMBL5778579 0.73 ACHE (0.40) TSHRACP1
SCHEMBL21218754 0.69 GAA (0.40) TSHRACP1
SCHEMBL1370477 0.69
SCHEMBL1765606 0.69 ALDH1A1 (0.32) TSHR
SCHEMBL8357239 0.69 AGTR1 (0.36) TSHRACP1
SCHEMBL22610099 0.69 TRPV4 (0.35)

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 TSHR 2906/4885ACP1 419/4885

“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.