SCHEMBL1072171

SCHEMBL1072171

CC1CN(Cc2c[nH]nc2-c2c[nH]c(C(N)=O)c2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
CXCR3 P49682 6/20 0.37
SGPL1 O95470 1/20 0.37
SMO Q99835 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
HSD11B1 P28845 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGLL Q99685 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
SCHEMBL1072165 1.00 PTGDR2 (0.38) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL12264577 0.88 SGPL1 (0.41) PTGDR2CXCR3SGPL1SMOLMNA
SCHEMBL1075680 0.88 CXCR3 (0.37) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL1075686 0.88 CXCR3 (0.37) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL1074319 0.87 PTGDR2 (0.38) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL1074312 0.87 PTGDR2 (0.38) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL1074807 0.86 CXCR3 (0.38) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL1074816 0.86 CXCR3 (0.38) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL1073310 0.85 SGPL1 (0.38) PTGDR2CXCR3SGPL1SMOKDM4E
SCHEMBL1073317 0.85 SGPL1 (0.38) PTGDR2CXCR3SGPL1SMOKDM4E

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

“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.