SCHEMBL4245325

SCHEMBL4245325

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(NCCN3CCCCC3)nc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
CXCR3 P49682 6/20 0.36
SGPL1 O95470 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
MAP3K11 Q16584 1/20 0.34
HTR7 P34969 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMO Q99835 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
SCHEMBL4245326 1.00 DYRK1A (0.38) DYRK1ACXCR3SGPL1TLR7DRD2
SCHEMBL4395233 0.91 CXCR3 (0.38) DYRK1ACXCR3SGPL1DRD2ADRA1A
SCHEMBL4395236 0.91 CXCR3 (0.38) DYRK1ACXCR3SGPL1DRD2ADRA1A
SCHEMBL4250878 0.90 CXCR3 (0.39) DYRK1ACXCR3SGPL1SMO
SCHEMBL4250881 0.90 CXCR3 (0.39) DYRK1ACXCR3SGPL1SMO
SCHEMBL14311331 0.88 SGPL1 (0.42) DYRK1ACXCR3SGPL1SMO
SCHEMBL4254695 0.87 CXCR3 (0.38) CXCR3SGPL1SMO
SCHEMBL4254690 0.87 CXCR3 (0.38) CXCR3SGPL1SMO
SCHEMBL4249522 0.87 CXCR3 (0.38) DYRK1ACXCR3SGPL1SMO
SCHEMBL4253832 0.87 CXCR3 (0.38) DYRK1ACXCR3SGPL1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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 (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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 DYRK1A 3384/4885CXCR3 1268/4885SGPL1 656/4885

“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.