SCHEMBL4255207

SCHEMBL4255207

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(N3CCC[C@H]3CO)nc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.38
TACR1 P25103 5/20 0.37
TACR3 P29371 5/20 0.37
SGPL1 O95470 1/20 0.37
ITGB2 P05107 3/20 0.37
ICAM1 P05362 3/20 0.37
ITGAL P20701 3/20 0.37
SMO Q99835 1/20 0.36
CDK1 P06493 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL4255215 1.00 CXCR3 (0.38) CXCR3TACR1TACR3SGPL1ITGB2
SCHEMBL4245504 0.86 SGPL1 (0.38) CXCR3SGPL1SMO
SCHEMBL4245500 0.86 SGPL1 (0.38) CXCR3SGPL1SMO
SCHEMBL4254428 0.85 SGPL1 (0.41) CXCR3SGPL1SMO
SCHEMBL4391383 0.85 SGPL1 (0.41) CXCR3SGPL1SMO
SCHEMBL4251539 0.85 SGPL1 (0.40) CXCR3SGPL1SMO
SCHEMBL4251536 0.85 SGPL1 (0.40) CXCR3SGPL1SMO
SCHEMBL4245455 0.85 SGPL1 (0.37) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL4245458 0.85 SGPL1 (0.37) CXCR3SGPL1SMONR1H2NR1H3
SCHEMBL4241386 0.85 CXCR3 (0.39) CXCR3SGPL1SMO

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 9 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
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
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 CXCR3 1268/4885TACR1 4678/4885TACR3 3525/4885

“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.