SCHEMBL4249628

SCHEMBL4249628

COC(=O)c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.45
IDE P14735 1/20 0.44
HSD11B1 P28845 1/20 0.44
CHRM4 P08173 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4070453 0.91 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4244857 0.89 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4245119 0.86 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4398189 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4247326 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4247330 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4247856 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4074520 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4252387 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4247565 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHPGDPPARGPPARD

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 SMN1; SMN2 3497/4885MAPT 3880/4885HPGD 3499/4885

“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.