SCHEMBL4248618

SCHEMBL4248618

N#Cc1ccc(-c2n[nH]cc2CN2CC3CCC(C2)N3c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
KDM1A O60341 6/20 0.41
PARP1 P09874 1/20 0.38
CCR6 P51684 1/20 0.36
RET P07949 3/20 0.35
KIF11 P52732 1/20 0.34
ACVR1 Q04771 1/20 0.34
SLC34A1 Q06495 1/20 0.33
CETP P11597 1/20 0.33
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL4245271 0.89 MAOB (0.45) MAOBKDM1ACCR6KIF11SLC34A1
SCHEMBL13592420 0.88 LMNA (0.34) MAOBCHRM4LMNASMN1; SMN2
SCHEMBL4400020 0.86 MAOB (0.45) MAOBKDM1APARP1CCR6RET
SCHEMBL4071799 0.83 MAOB (0.50) MAOBKDM1APARP1CETPLMNA
SCHEMBL4247547 0.82 MAOB (0.46) MAOBKDM1ACCR6KIF11CETP
SCHEMBL4068716 0.82 MAOB (0.46) MAOBKDM1ACCR6KIF11CETP
SCHEMBL4068707 0.82 MAOB (0.46) MAOBKDM1ACCR6KIF11CETP
SCHEMBL13590946 0.82 MAOB (0.45) MAOBKDM1ARET
SCHEMBL13590947 0.82 MAOB (0.45) MAOBKDM1ARET
SCHEMBL4249119 0.82 MAOB (0.45) MAOBKDM1ARET

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 5 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

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 2220/4885PARP1 2083/4885

“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.