SCHEMBL2744385

SCHEMBL2744385

C[C@H]1CN(Cc2c[nH]nc2-c2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.37
CDK2 P24941 1/20 0.36
AKT1 P31749 1/20 0.36
SGPL1 O95470 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GRIA1 P42261 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMO Q99835 1/20 0.34
PPARD Q03181 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 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
SCHEMBL2744016 1.00 CXCR3 (0.37) CXCR3CDK2AKT1SGPL1PTGDR2
SCHEMBL2744020 1.00 CXCR3 (0.37) CXCR3CDK2AKT1SGPL1PTGDR2
SCHEMBL2744513 0.94 CXCR3 (0.37) CXCR3SGPL1PTGDR2LMNASMN1; SMN2
SCHEMBL2744510 0.94 CXCR3 (0.37) CXCR3SGPL1PTGDR2LMNASMN1; SMN2
SCHEMBL2744108 0.90 SGPL1 (0.37) CXCR3SGPL1PTGDR2LMNASMN1; SMN2
SCHEMBL2743711 0.90 SGPL1 (0.37) CXCR3SGPL1PTGDR2LMNASMN1; SMN2
SCHEMBL2743709 0.90 SGPL1 (0.37) CXCR3SGPL1PTGDR2LMNASMN1; SMN2
SCHEMBL3674935 0.84 SGPL1 (0.37) CXCR3SGPL1PTGDR2LMNASMN1; SMN2
SCHEMBL4398201 0.82 PTGDR2 (0.42) CXCR3SGPL1PTGDR2LMNASMN1; SMN2
SCHEMBL4245413 0.82 SGPL1 (0.40) CXCR3SGPL1PTGDR2LMNASMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US claimed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US claimed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP claimed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US claimed
EP-2167498-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-03-31 EP claimed
WO-2008157210-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-12-24 WO claimed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP disclosed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
WO-2008157210-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-12-24 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 (2 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-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 CXCR3 1157/4885CDK2 473/4885AKT1 239/4885
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K3, IP6K2 CXCR3 1242/4885CDK2 479/4885AKT1 273/4885

“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.