SCHEMBL4241889

SCHEMBL4241889

CCNC(=O)Oc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)C(C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.39
CXCR3 P49682 6/20 0.36
SGPL1 O95470 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TACR3 P29371 1/20 0.35
HSD11B1 P28845 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
LIPE Q05469 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
SCHEMBL13590956 1.00 SMO (0.39) SMOCXCR3SGPL1CHRM2CHRM1
SCHEMBL4244291 0.92 SMO (0.40) SMOCXCR3SGPL1CHRM2CHRM1
SCHEMBL4391439 0.92 SMO (0.40) SMOCXCR3SGPL1CHRM2CHRM1
SCHEMBL4248845 0.90 SMO (0.39) SMOCXCR3SGPL1PTGDR2LIPE
SCHEMBL13590966 0.90 SMO (0.39) SMOCXCR3SGPL1PTGDR2LIPE
SCHEMBL13590967 0.89 LMNA (0.40) SMOSGPL1CHRM2CHRM1PTGDR2
SCHEMBL4246579 0.89 LMNA (0.40) SMOSGPL1CHRM2CHRM1PTGDR2
SCHEMBL4256260 0.88 PIK3CD (0.40) SMOCXCR3SMN1; SMN2
SCHEMBL13590959 0.88 PIK3CD (0.40) SMOCXCR3SMN1; SMN2
SCHEMBL4244707 0.88 SMN1; SMN2 (0.46) CHRM2CHRM1HPGDSMN1; SMN2HSD11B1

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

“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.