SCHEMBL4070453

SCHEMBL4070453

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 3/20 0.60
IDE P14735 1/20 0.51
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 5/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
DRD4 P21917 1/20 0.44
GRM2 Q14416 1/20 0.44
HTT P42858 2/20 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
SCHEMBL4249628 0.91 SMN1; SMN2 (0.48) SMN1; SMN2MAPTIDEHPGDPPARG
SCHEMBL4244857 0.91 SMN1; SMN2 (0.48) SMN1; SMN2MAPTIDEHPGDPPARG
SCHEMBL4247330 0.89 SMN1; SMN2 (0.46) SMN1; SMN2MAPTIDEHPGDPPARG
SCHEMBL4247326 0.89 SMN1; SMN2 (0.46) SMN1; SMN2MAPTIDEHPGDPPARG
SCHEMBL4398189 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4241368 0.87 OPRM1 (0.49) SMN1; SMN2MAPTPPARGPPARAKMT2A
SCHEMBL4252387 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4245119 0.86 SMN1; SMN2 (0.50) SMN1; SMN2MAPTIDEHPGDPPARG
SCHEMBL4247565 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHPGDPPARGPPARD
SCHEMBL4247856 0.85 SMN1; SMN2 (0.46) 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 3880/4885IDE 827/4885

“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.