SCHEMBL1076097

SCHEMBL1076097

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 3/20 0.39
CXCR3 P49682 6/20 0.38
DGAT1 O75907 1/20 0.37
RET P07949 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMO Q99835 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAOB P27338 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL1076094 1.00 SGPL1 (0.39) SGPL1CXCR3DGAT1RETNR1H2
SCHEMBL12264577 0.89 SGPL1 (0.41) SGPL1CXCR3NR1H2NR1H3LMNA
SCHEMBL4249119 0.88 MAOB (0.45) SGPL1CXCR3RETSMOMAOB
SCHEMBL13590946 0.88 MAOB (0.45) SGPL1CXCR3RETSMOMAOB
SCHEMBL13590947 0.88 MAOB (0.45) SGPL1CXCR3RETSMOMAOB
SCHEMBL1073690 0.87 SGPL1 (0.40) SGPL1CXCR3DGAT1RETNR1H2
SCHEMBL1073689 0.87 SGPL1 (0.40) SGPL1CXCR3DGAT1RETNR1H2
SCHEMBL1075901 0.86 SGPL1 (0.42) SGPL1CXCR3RETNR1H2NR1H3
SCHEMBL1075904 0.86 SGPL1 (0.42) SGPL1CXCR3RETNR1H2NR1H3
SCHEMBL4251784 0.86 SGPL1 (0.39) SGPL1CXCR3DGAT1RETNR1H2

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 SGPL1 656/4885CXCR3 1268/4885DGAT1 774/4885

“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.