SCHEMBL4250176

SCHEMBL4250176

CC1CN(Cc2c[nH]nc2-c2ccc(NCCO)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.38
SMO Q99835 3/20 0.38
CXCR3 P49682 6/20 0.37
HIF1A Q16665 4/20 0.35
EPAS1 Q99814 4/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL4250172 1.00 SGPL1 (0.38) SGPL1SMOCXCR3HIF1AEPAS1
SCHEMBL4250881 0.91 CXCR3 (0.39) SGPL1SMOCXCR3CHRM2CHRM1
SCHEMBL4250878 0.91 CXCR3 (0.39) SGPL1SMOCXCR3CHRM2CHRM1
SCHEMBL4249326 0.90 SMO (0.41) SGPL1SMOCXCR3HIF1AEPAS1
SCHEMBL4249318 0.90 SMO (0.41) SGPL1SMOCXCR3HIF1AEPAS1
SCHEMBL4398201 0.87 PTGDR2 (0.42) SGPL1SMOCXCR3PTGDR2
SCHEMBL4392834 0.87 HIF1A (0.40) SGPL1SMOCXCR3HIF1AEPAS1
SCHEMBL4244454 0.87 SGPL1 (0.41) SGPL1SMOCXCR3PTGDR2
SCHEMBL14311334 0.87 SGPL1 (0.41) SGPL1SMOCXCR3PTGDR2
SCHEMBL13592416 0.87 SGPL1 (0.41) SGPL1SMOCXCR3PTGDR2

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
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

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 SGPL1 656/4885SMO 1890/4885CXCR3 1268/4885

“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.