SCHEMBL1075680

SCHEMBL1075680

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.37
SGPL1 O95470 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
SMO Q99835 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM4 P08173 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL1075686 1.00 CXCR3 (0.37) CXCR3SGPL1PTGDR2KDM4EABL1
SCHEMBL1072171 0.88 PTGDR2 (0.38) CXCR3SGPL1PTGDR2KDM4EABL1
SCHEMBL1072165 0.88 PTGDR2 (0.38) CXCR3SGPL1PTGDR2KDM4EABL1
SCHEMBL12264345 0.87 SGPL1 (0.40) CXCR3SGPL1PTGDR2LMNASMO
SCHEMBL1074319 0.87 PTGDR2 (0.38) CXCR3SGPL1PTGDR2KDM4EABL1
SCHEMBL1074312 0.87 PTGDR2 (0.38) CXCR3SGPL1PTGDR2KDM4EABL1
SCHEMBL13654872 0.87 CXCR3 (0.40) CXCR3SGPL1PTGDR2LMNASMO
SCHEMBL1073509 0.85 PTGDR2 (0.39) CXCR3SGPL1PTGDR2KDM4EABL1
SCHEMBL1073517 0.85 PTGDR2 (0.39) CXCR3SGPL1PTGDR2KDM4EABL1
SCHEMBL12240159 0.85 CXCR3 (0.38) CXCR3SGPL1PTGDR2LMNASMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US claimed
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US disclosed
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP disclosed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 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-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 CXCR3 1268/4885SGPL1 656/4885PTGDR2 2402/4885

“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.