SCHEMBL13308347

SCHEMBL13308347

CN(C)c1cc2c(cc1Cl)N(C)CC(C(=O)N1CCC(C#N)(Cc3ccncc3)CC1)O2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
NAMPT P43490 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CDK9 P50750 1/20 0.31
CDK8 P49336 1/20 0.30
CDK19 Q9BWU1 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
SCHEMBL3355883 0.87 PDE4A (0.36) FPR2PROKR1NAMPT
SCHEMBL3359312 0.85 PROKR1 (0.34) FPR2PROKR1NAMPTALDH1A1
SCHEMBL3355372 0.83 ALDH1A1 (0.35) FPR2PROKR1ALDH1A1
SCHEMBL3355341 0.82 ALDH1A1 (0.34) FPR2PROKR1ALDH1A1
SCHEMBL3354707 0.82 ALDH1A1 (0.34) FPR2PROKR1ALDH1A1
SCHEMBL3358333 0.82 ALDH1A1 (0.33) FPR2PROKR1ALDH1A1CDK8CDK19
SCHEMBL3359004 0.81 POLB (0.38) FPR2PROKR1ALDH1A1
SCHEMBL3352265 0.80 ALDH1A1 (0.33) FPR2PROKR1ALDH1A1
SCHEMBL3359075 0.80 ALDH1A1 (0.33) FPR2PROKR1ALDH1A1CDK9
SCHEMBL13308405 0.79 ALDH1A1 (0.35) FPR2PROKR1ALDH1A1CDK9

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 1 patent. 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 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 FPR2 60/4885PROKR1 148/4885NAMPT 3542/4885

“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.