SCHEMBL4248356

SCHEMBL4248356

N#Cc1ccc(-c2n[nH]cc2CN2CC3CC2CN3c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
PARP1 P09874 2/20 0.40
TNK1 Q13470 2/20 0.40
TNK2 Q07912 1/20 0.40
KDM1A O60341 3/20 0.39
RET P07949 4/20 0.36
TIPARP Q7Z3E1 2/20 0.36
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KIF11 P52732 1/20 0.33
CCR6 P51684 1/20 0.33
SGPL1 O95470 1/20 0.33
SLC34A1 Q06495 1/20 0.33

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
SCHEMBL13592417 0.89 MAP3K12 (0.36) PARP1TNK1TNK2RETCHRNA7
SCHEMBL4253124 0.84 MAOB (0.43) MAOBKDM1APTGDR2KIF11CCR6
SCHEMBL13590950 0.81 MAOB (0.46) MAOBKDM1ASGPL1
SCHEMBL4242790 0.81 MAOB (0.46) MAOBKDM1ASGPL1
SCHEMBL4242799 0.81 MAOB (0.46) MAOBKDM1ASGPL1
SCHEMBL4068716 0.81 MAOB (0.46) MAOBKDM1APTGDR2KIF11CCR6
SCHEMBL4245769 0.81 MAOB (0.46) MAOBKDM1ASGPL1
SCHEMBL13590948 0.81 MAOB (0.46) MAOBKDM1ASGPL1
SCHEMBL4247547 0.81 MAOB (0.46) MAOBKDM1APTGDR2KIF11CCR6
SCHEMBL4068707 0.81 MAOB (0.46) MAOBKDM1APTGDR2KIF11CCR6

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 7 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
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 3474/4885PARP1 2083/4885TNK1 322/4885

“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.