SCHEMBL4244159

SCHEMBL4244159

CNS(=O)(=O)c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)C(C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.40
SGPL1 O95470 1/20 0.39
SMO Q99835 3/20 0.38
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 5/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
MLNR O43193 1/20 0.35

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
SCHEMBL4251039 1.00 CXCR3 (0.40) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL4249184 0.92 CXCR3 (0.40) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL4249188 0.92 CXCR3 (0.40) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL4251226 0.91 GPR119 (0.44) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL4251230 0.91 GPR119 (0.44) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL4398201 0.87 PTGDR2 (0.42) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL13590836 0.86 SGPL1 (0.41) CXCR3SGPL1SMOPTGDR2
SCHEMBL14311334 0.86 SGPL1 (0.41) CXCR3SGPL1SMOPTGDR2
SCHEMBL13592416 0.86 SGPL1 (0.41) CXCR3SGPL1SMOPTGDR2
SCHEMBL4244454 0.86 SGPL1 (0.41) CXCR3SGPL1SMOPTGDR2

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 CXCR3 1268/4885SGPL1 656/4885SMO 1890/4885

“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.