SCHEMBL4250996

SCHEMBL4250996

N#Cc1ccc(-c2n[nH]cc2C(c2ccc(C(F)(F)F)cn2)(N2CCCCCC2)N2CCCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
KDM1A O60341 3/20 0.40
CCR6 P51684 3/20 0.38
KIF11 P52732 1/20 0.37
KDM5A P29375 1/20 0.34
USP14 P54578 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GSR P00390 1/20 0.32
KIT P10721 2/20 0.32
PTPN11 Q06124 1/20 0.32
TRPA1 O75762 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL3643233 0.87 KDM4E (0.37) CCR6
SCHEMBL4242740 0.82 GCK (0.33) CCR6KDM5ASCN9A
SCHEMBL4253769 0.80 USP30 (0.36) CCR6KDM5ASCN9A
SCHEMBL2743992 0.76 DYRK1A (0.31)
SCHEMBL4071799 0.71 MAOB (0.50) MAOBKDM1AKCNH2
SCHEMBL4250993 0.70 MAOB (0.47) MAOBKCNH2
SCHEMBL4254273 0.70 KDM1A (0.42) MAOBKDM1ACCR6KIF11HRH3
SCHEMBL4245121 0.69 MAOB (0.45) MAOBKDM1ACCR6DGAT1KCNH2
SCHEMBL4247755 0.68 MAOB (0.48) MAOBKDM1AKIT
SCHEMBL4247547 0.67 MAOB (0.46) MAOBKDM1ACCR6KIF11PTGDR2

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 3474/4885KDM1A 2220/4885CCR6 2502/4885

“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.