SCHEMBL4248542

SCHEMBL4248542

COC(=O)[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C#N)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAPK1 P28482 1/20 0.38
CETP P11597 4/20 0.38
KDM1A O60341 3/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CHRM4 P08173 1/20 0.35
CCR6 P51684 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL4248540 1.00 MAOB (0.41) MAOBMAPK1CETPKDM1ACNR2
SCHEMBL4248570 0.92 MAOB (0.42) MAOBMAPK1CETPKDM1APTGDR2
SCHEMBL4248566 0.92 MAOB (0.42) MAOBMAPK1CETPKDM1APTGDR2
SCHEMBL13590947 0.87 MAOB (0.45) MAOBKDM1A
SCHEMBL13590946 0.87 MAOB (0.45) MAOBKDM1A
SCHEMBL4249119 0.87 MAOB (0.45) MAOBKDM1A
SCHEMBL27768799 0.87 MAOB (0.41) MAOBMAPK1CETPKDM1APTGDR2
SCHEMBL4249354 0.87 MAOB (0.43) MAOBMAPK1CETPKDM1A
SCHEMBL4249351 0.87 MAOB (0.43) MAOBMAPK1CETPKDM1A
SCHEMBL13592388 0.86 MAOB (0.44) MAOBMAPK1CETPKDM1APTGDR2

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 MAOB 3474/4885MAPK1 1058/4885CETP 2211/4885

“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.