Sugi Predict

Sugi Predict / Compounds / SCHEMBL3588152

SCHEMBL3588152

SCHEMBL3588152

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4nc(C)cc4C)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 5/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ CCR1 P32246 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
SCHEMBL3576143 0.88 CXCR3 (0.36) CXCR3KCNH2POLBIRAK4CPT2
SCHEMBL3577015 0.87 CXCR3 (0.41) CXCR3KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL3583234 0.85 CPT1A (0.35) LMNAIRAK4CPT2CPT1ACPT1B
SCHEMBL3581627 0.85 IRAK4 (0.33) KCNH2LMNAIRAK4CPT2CPT1A
SCHEMBL3589601 0.84 CPT1A (0.33) KCNH2IRAK4CPT2CPT1ACPT1B
SCHEMBL3591790 0.84 PSEN1 (0.36) KCNH2ALDH1A1LMNATLR9TLR8
SCHEMBL13031390 0.84 CXCR3 (0.39) CXCR3KCNH2ALDH1A1LMNAGAA
SCHEMBL4463529 0.84 CXCR3 (0.42) CXCR3KCNH2ALDH1A1LMNAGAA
SCHEMBL3588834 0.84 GRIN1 (0.35) ALDH1A1LMNAGAAIRAK4CPT2
SCHEMBL3583149 0.83 IRAK4 (0.32) ALDH1A1LMNAMAPTIRAK4CPT2

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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 — — US claimed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 — — US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US 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 (2 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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 CXCR3 1858/4885KCNH2 592/4885CYP1A2 10/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 2030/4885CYP1A2 2025/4885

“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.