SCHEMBL1075917

SCHEMBL1075917

CC1CN(Cc2c[nH]nc2-c2nc(C(=N)N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.37
CXCR3 P49682 7/20 0.36
SMO Q99835 2/20 0.34
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
DRD4 P21917 1/20 0.32
GRM2 Q14416 1/20 0.32
MGLL Q99685 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL1075914 1.00 SGPL1 (0.37) SGPL1CXCR3SMOKMT2APTGDR2
SCHEMBL1074807 0.93 CXCR3 (0.38) SGPL1CXCR3SMOKMT2APTGDR2
SCHEMBL1074816 0.93 CXCR3 (0.38) SGPL1CXCR3SMOKMT2APTGDR2
SCHEMBL1074264 0.87 SGPL1 (0.40) SGPL1CXCR3SMOKMT2APTGDR2
SCHEMBL1074267 0.87 SGPL1 (0.40) SGPL1CXCR3SMOKMT2APTGDR2
SCHEMBL12240175 0.87 SGPL1 (0.40) SGPL1CXCR3SMOKMT2APTGDR2
SCHEMBL1076086 0.84 SGPL1 (0.39) SGPL1CXCR3KMT2APTGDR2NR1H2
SCHEMBL12240179 0.84 SGPL1 (0.38) SGPL1CXCR3SMOKMT2APTGDR2
SCHEMBL1075453 0.84 SGPL1 (0.39) SGPL1CXCR3KMT2APTGDR2NR1H2
SCHEMBL1076325 0.84 SGPL1 (0.42) SGPL1CXCR3SMOKMT2ANR1H2

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 1268/4885SMO 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.