SCHEMBL4247755

SCHEMBL4247755

N#Cc1ccc(-c2n[nH]cc2CC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
CETP P11597 5/20 0.45
KDM1A O60341 1/20 0.44
DPP4 P27487 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
SMO Q99835 2/20 0.41
KIT P10721 1/20 0.41
RET P07949 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4071799 0.85 MAOB (0.50) MAOBCETPKDM1ALMNASMO
SCHEMBL4250993 0.82 MAOB (0.47) MAOBCETPKDM4ELMNASMO
SCHEMBL4400020 0.82 MAOB (0.45) MAOBCETPKDM1ASMORET
SCHEMBL4242799 0.80 MAOB (0.46) MAOBCETPKDM1ALMNASMO
SCHEMBL4245769 0.80 MAOB (0.46) MAOBKDM1ALMNASMO
SCHEMBL4247857 0.80 MAOB (0.46) MAOBCETPKDM1ALMNASMO
SCHEMBL13590948 0.80 MAOB (0.46) MAOBKDM1ALMNASMO
SCHEMBL13590950 0.80 MAOB (0.46) MAOBKDM1ALMNASMO
SCHEMBL4242790 0.80 MAOB (0.46) MAOBCETPKDM1ALMNASMO
SCHEMBL4243742 0.79 MAOB (0.44) MAOBCETPKDM1ALMNASMO

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 10 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
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
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 3474/4885CETP 2211/4885KDM1A 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.