Sugi Predict

Sugi Predict / Compounds / SCHEMBL3352647

SCHEMBL3352647

SCHEMBL3352647

COc1cc2c(cc1Cl)N(c1nc[nH]n1)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ PDE5A O76074 3/20 0.33
▸ PROKR1 Q8TCW9 2/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ CHEK1 O14757 3/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ SHMT2 P34897 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL3356328 0.91 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2
SCHEMBL3359564 0.90 ALDH1A1 (0.32) ALDH1A1PDE5APROKR1FPR2CHEK1
SCHEMBL13330893 0.90 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2MGLLPIK3CA
SCHEMBL3356345 0.88 ALDH1A1 (0.37) ALDH1A1PROKR1FPR2LMNA
SCHEMBL3358681 0.86 LMNA (0.35) ALDH1A1CHEK1CCR1MGLLLMNA
SCHEMBL3353011 0.85 LMNA (0.34) ALDH1A1PROKR1FPR2CHEK1CCR1
SCHEMBL3351389 0.85 POLB (0.38) ALDH1A1PROKR1FPR2CCR1LMNA
SCHEMBL3354423 0.84 LMNA (0.37) ALDH1A1PROKR1FPR2CHEK1CCR1
SCHEMBL3355555 0.84 CCR1 (0.34) ALDH1A1PROKR1FPR2CCR1LMNA
SCHEMBL3354658 0.83 ALDH1A1 (0.33) ALDH1A1CHEK1CCR1MGLLLMNA

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
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
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

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 ALDH1A1 903/4885PDE5A 2005/4885PROKR1 148/4885

“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.