SCHEMBL4250878

SCHEMBL4250878

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.39
SGPL1 O95470 1/20 0.37
SMO Q99835 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CHRM4 P08173 1/20 0.33
HCRTR1 O43613 2/20 0.33
DYRK1A Q13627 1/20 0.33
DPP4 P27487 1/20 0.33
RET P07949 1/20 0.33
HCRTR2 O43614 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
SCHEMBL4250881 1.00 CXCR3 (0.39) CXCR3SGPL1SMOCHRM2CHRM1
SCHEMBL4395236 0.93 CXCR3 (0.38) CXCR3SGPL1SMOCHRM2CHRM1
SCHEMBL4395233 0.93 CXCR3 (0.38) CXCR3SGPL1SMOCHRM2CHRM1
SCHEMBL4250172 0.91 SGPL1 (0.38) CXCR3SGPL1SMOCHRM2CHRM1
SCHEMBL4250176 0.91 SGPL1 (0.38) CXCR3SGPL1SMOCHRM2CHRM1
SCHEMBL4254695 0.90 CXCR3 (0.38) CXCR3SGPL1SMOCHRM2CHRM1
SCHEMBL4254690 0.90 CXCR3 (0.38) CXCR3SGPL1SMOCHRM2CHRM1
SCHEMBL4245325 0.90 DYRK1A (0.38) CXCR3SGPL1SMODYRK1A
SCHEMBL4245326 0.90 DYRK1A (0.38) CXCR3SGPL1SMODYRK1A
SCHEMBL4249522 0.90 CXCR3 (0.38) CXCR3SGPL1SMOPTGDR2HCRTR1

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-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

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 1268/4885SGPL1 656/4885SMO 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.