Sugi Predict

Sugi Predict / Compounds / SCHEMBL3589593

SCHEMBL3589593

SCHEMBL3589593

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4cnc5ccccc54)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ CXCR3 P49682 3/20 0.39
▸ CDYL2 Q8N8U2 1/20 0.38
▸ CDYL Q9Y232 1/20 0.38
▸ CDY1; CDY1B Q9Y6F8 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ CPT1A P50416 3/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ ORAI1 Q96D31 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL3587639 0.89 CXCR3 (0.47) CXCR3KCNH2
SCHEMBL3587157 0.87 CXCR3 (0.41) LMNACXCR3HTTUBE2MDCUN1D1
SCHEMBL13031408 0.86 LMNA (0.41) LMNACXCR3CDYL2CDYLCDY1; CDY1B
SCHEMBL3582567 0.85 MAPT (0.39) LMNAUBE2MDCUN1D1ALDH1A1TP53
SCHEMBL3585404 0.85 CPT1A (0.32) LMNASMN1; SMN2CPT1ACPT2ALDH1A1
SCHEMBL15451262 0.84 KCNH2 (0.35) LMNASMN1; SMN2KCNH2CPT1ACPT2
SCHEMBL3586267 0.84 CXCR3 (0.42) LMNACXCR3HTTSMN1; SMN2ALDH1A1
SCHEMBL3581779 0.83 TLR9 (0.34) KCNH2CPT1ACPT2
SCHEMBL3589601 0.83 CPT1A (0.33) SMN1; SMN2KCNH2CPT1ACPT2
SCHEMBL3580375 0.82 CXCR3 (0.39) CXCR3KCNH2CPT1ACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US claimed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 — — EP claimed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 — — WO claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 — — EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 — — 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 LMNA 4877/4885CXCR3 1/4885CDYL2 2519/4885

“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.