Sugi Predict

Sugi Predict / Compounds / SCHEMBL3358091

SCHEMBL3358091

SCHEMBL3358091

COc1cc2c(cc1Cl)NCC(C(=O)N1CCC(C#N)(Cc3ccncc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2C9 P11712 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2D6 P10635 3/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ PREP P48147 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 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
SCHEMBL3354939 0.91 CCR1 (0.37) ALDH1A1HTTMAPTKMT2AFPR2
SCHEMBL3353141 0.89 ALDH1A1 (0.32) CYP3A4CYP2C9ALDH1A1HTTMAPT
SCHEMBL3353168 0.88 CCR1 (0.35) ALDH1A1HTTMAPTKMT2AFPR2
SCHEMBL3359312 0.88 PROKR1 (0.34) ALDH1A1FPR2PROKR1CHEK1
SCHEMBL3356066 0.84 ALDH1A1 (0.35) CYP3A4CYP2C9ALDH1A1HTTKMT2A
SCHEMBL3351152 0.83 MGLL (0.34) ALDH1A1FPR2PROKR1CHEK1PREP
SCHEMBL3355429 0.83 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAKDM4E
SCHEMBL13330848 0.83 ALDH1A1 (0.34) ALDH1A1FPR2PROKR1CHEK1PREP
SCHEMBL3354415 0.82 ALDH1A1 (0.37) ALDH1A1FPR2PROKR1PREP
SCHEMBL3355975 0.82 CYP46A1 (0.37) ALDH1A1FPR2PROKR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 PDE4A 2366/4885PDE4B 2959/4885PDE4C 3127/4885

“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.