SCHEMBL4245458

SCHEMBL4245458

CC1CN(Cc2c[nH]nc2-c2ccc(N(CCO)CCO)nc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.37
CXCR3 P49682 7/20 0.35
SMO Q99835 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
RET P07949 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL4245455 1.00 SGPL1 (0.37) SGPL1CXCR3SMOPTGDR2RET
SCHEMBL4242928 0.90 SGPL1 (0.39) SGPL1CXCR3SMOPTGDR2RET
SCHEMBL13590964 0.90 SGPL1 (0.39) SGPL1CXCR3SMOPTGDR2RET
SCHEMBL4245500 0.87 SGPL1 (0.38) SGPL1CXCR3SMOPTGDR2RET
SCHEMBL4245504 0.87 SGPL1 (0.38) SGPL1CXCR3SMOPTGDR2RET
SCHEMBL4255215 0.85 CXCR3 (0.38) SGPL1CXCR3SMONR1H2NR1H3
SCHEMBL4255207 0.85 CXCR3 (0.38) SGPL1CXCR3SMONR1H2NR1H3
SCHEMBL4254428 0.85 SGPL1 (0.41) SGPL1CXCR3SMOPTGDR2LMNA
SCHEMBL4391383 0.85 SGPL1 (0.41) SGPL1CXCR3SMOPTGDR2LMNA
SCHEMBL4251536 0.85 SGPL1 (0.40) SGPL1CXCR3SMOPTGDR2RET

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 656/4885CXCR3 1268/4885SMO 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.