SCHEMBL1074807

SCHEMBL1074807

C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.38
SGPL1 O95470 1/20 0.37
SMO Q99835 2/20 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
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MGLL Q99685 2/20 0.35
HSD11B1 P28845 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
SCHEMBL1074816 1.00 CXCR3 (0.38) CXCR3SGPL1SMOPTGDR2KDM4E
SCHEMBL1075917 0.93 SGPL1 (0.37) CXCR3SGPL1SMOPTGDR2KDM4E
SCHEMBL1075914 0.93 SGPL1 (0.37) CXCR3SGPL1SMOPTGDR2KDM4E
SCHEMBL12240175 0.88 SGPL1 (0.40) CXCR3SGPL1SMOPTGDR2LMNA
SCHEMBL1074267 0.88 SGPL1 (0.40) CXCR3SGPL1SMOPTGDR2LMNA
SCHEMBL1074264 0.88 SGPL1 (0.40) CXCR3SGPL1SMOPTGDR2LMNA
SCHEMBL1072171 0.86 PTGDR2 (0.38) CXCR3SGPL1SMOPTGDR2KDM4E
SCHEMBL1072165 0.86 PTGDR2 (0.38) CXCR3SGPL1SMOPTGDR2KDM4E
SCHEMBL4246289 0.85 PTGDR2 (0.39) CXCR3SGPL1SMOPTGDR2KDM4E
SCHEMBL1074312 0.85 PTGDR2 (0.38) CXCR3SGPL1SMOPTGDR2KDM4E

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 8 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
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US disclosed
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 656/4885SMO 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.