SCHEMBL4309890

SCHEMBL4309890

CC(C)(C)c1cc(-c2nc(C3CCN(C(=O)Cn4c(=O)[nH]c5ccccc54)CC3)sc2Br)nc(C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
UBE2M P61081 4/20 0.33
DCUN1D1 Q96GG9 4/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TP53 P04637 3/20 0.33
POLB P06746 2/20 0.33
CHRM5 P08912 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
SCHEMBL4324258 0.92 CXCR3 (0.41) CXCR3KCNH2DRD2DRD3ATAD2
SCHEMBL13807742 0.81 CXCR3 (0.43) CXCR3KCNH2DRD2DRD3KMT2A
SCHEMBL4317295 0.79 CXCR3 (0.37) CXCR3KCNH2ATAD2CECR2HSD11B1
SCHEMBL13807743 0.76 KDM4E (0.41) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4315545 0.75 CXCR3 (0.42) CXCR3KCNH2SMN1; SMN2LMNAHSD11B1
SCHEMBL4309578 0.72 CXCR3 (0.40) CXCR3KCNH2KMT2AALDH1A1GAA
SCHEMBL13807445 0.69 KDM4E (0.41) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL4317232 0.69 CXCR3 (0.47) CXCR3KCNH2LMNATP53POLB
SCHEMBL3578439 0.68 CXCR3 (0.40) CXCR3KCNH2ATAD2CECR2SMN1; SMN2
SCHEMBL4311554 0.67 MAPT (0.34) KMT2AALDH1A1GAASMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US claimed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 CXCR3 1/4885KCNH2 2323/4885DRD2 2125/4885

“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.