SCHEMBL4248570

SCHEMBL4248570

N#Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)C(C(=O)O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
KDM1A O60341 3/20 0.37
STAT3 P40763 1/20 0.36
CETP P11597 2/20 0.36
SGPL1 O95470 2/20 0.35
MGLL Q99685 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.34
RORC P51449 1/20 0.34
SMO Q99835 1/20 0.34
SYK P43405 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
SCHEMBL4248566 1.00 MAOB (0.42) MAOBPTGDR2KDM1ASTAT3CETP
SCHEMBL4248542 0.92 MAOB (0.41) MAOBPTGDR2KDM1ASTAT3CETP
SCHEMBL4248540 0.92 MAOB (0.41) MAOBPTGDR2KDM1ASTAT3CETP
SCHEMBL13592388 0.88 MAOB (0.44) MAOBPTGDR2KDM1ASTAT3CETP
SCHEMBL4068707 0.88 MAOB (0.46) MAOBPTGDR2KDM1ASTAT3CETP
SCHEMBL4247547 0.88 MAOB (0.46) MAOBPTGDR2KDM1ASTAT3CETP
SCHEMBL4068716 0.88 MAOB (0.46) MAOBPTGDR2KDM1ASTAT3CETP
SCHEMBL13590947 0.87 MAOB (0.45) MAOBKDM1ASGPL1SMO
SCHEMBL13590946 0.87 MAOB (0.45) MAOBKDM1ASGPL1SMO
SCHEMBL4249119 0.87 MAOB (0.45) MAOBKDM1ASGPL1SMO

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 8 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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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 MAOB 3474/4885PTGDR2 2402/4885KDM1A 2220/4885

“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.