SCHEMBL4242928

SCHEMBL4242928

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 2/20 0.39
CXCR3 P49682 7/20 0.36
SMO Q99835 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
WDR5 P61964 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
RET P07949 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 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
SCHEMBL13590964 1.00 SGPL1 (0.39) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL4245458 0.90 SGPL1 (0.37) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL4245455 0.90 SGPL1 (0.37) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL4251536 0.88 SGPL1 (0.40) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL4251539 0.88 SGPL1 (0.40) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL4398201 0.87 PTGDR2 (0.42) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL4391383 0.87 SGPL1 (0.41) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL4254428 0.87 SGPL1 (0.41) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL14311331 0.87 SGPL1 (0.42) SGPL1CXCR3SMOLMNASMN1; SMN2
SCHEMBL13592416 0.86 SGPL1 (0.41) SGPL1CXCR3SMOLMNASMN1; SMN2

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.