SCHEMBL1076327

SCHEMBL1076327

CC1CN(Cc2c[nH]nc2-c2nc(-c3ccccc3)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 3/20 0.42
CXCR3 P49682 7/20 0.38
CNR2 P34972 1/20 0.36
DRD4 P21917 1/20 0.35
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMO Q99835 1/20 0.34
CHRM2 P08172 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
SCHEMBL1076325 1.00 SGPL1 (0.42) SGPL1CXCR3CNR2DRD4GRM2
SCHEMBL12240175 0.88 SGPL1 (0.40) SGPL1CXCR3DRD4GRM2SMN1; SMN2
SCHEMBL1074267 0.88 SGPL1 (0.40) SGPL1CXCR3DRD4GRM2SMN1; SMN2
SCHEMBL1074264 0.88 SGPL1 (0.40) SGPL1CXCR3DRD4GRM2SMN1; SMN2
SCHEMBL1076051 0.87 CNR2 (0.46) SGPL1CNR2KDM4E
SCHEMBL1076050 0.87 CNR2 (0.46) SGPL1CNR2KDM4E
SCHEMBL12240179 0.85 SGPL1 (0.38) SGPL1CXCR3DRD4GRM2SMN1; SMN2
SCHEMBL1076086 0.85 SGPL1 (0.39) SGPL1CXCR3DRD4GRM2SMN1; SMN2
SCHEMBL1075453 0.85 SGPL1 (0.39) SGPL1CXCR3DRD4GRM2SMN1; SMN2
SCHEMBL1074816 0.84 CXCR3 (0.38) SGPL1CXCR3KDM4ESMN1; SMN2SMO

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 3 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 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 1268/4885CNR2 3555/4885

“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.