SCHEMBL4254273

SCHEMBL4254273

N#Cc1ccc(-c2n[nH]cc2CN2CCC(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
MAOB P27338 2/20 0.42
LIPE Q05469 1/20 0.38
KIT P10721 1/20 0.38
CCR6 P51684 1/20 0.37
STAT3 P40763 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KIF11 P52732 1/20 0.36
CHRM4 P08173 1/20 0.35
TEAD1 P28347 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 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
SCHEMBL4071799 0.83 MAOB (0.50) KDM1AMAOBLMNASMN1; SMN2
SCHEMBL4250993 0.80 MAOB (0.47) MAOBLMNAPOLBSMN1; SMN2
SCHEMBL4248618 0.80 MAOB (0.45) KDM1AMAOBCCR6KIF11CHRM4
SCHEMBL4247547 0.79 MAOB (0.46) KDM1AMAOBCCR6STAT3KIF11
SCHEMBL4068716 0.79 MAOB (0.46) KDM1AMAOBCCR6STAT3KIF11
SCHEMBL4068707 0.79 MAOB (0.46) KDM1AMAOBCCR6STAT3KIF11
SCHEMBL4245271 0.78 MAOB (0.45) KDM1AMAOBCCR6KIF11CHRM4
SCHEMBL13590947 0.78 MAOB (0.45) KDM1AMAOB
SCHEMBL13590946 0.78 MAOB (0.45) KDM1AMAOB
SCHEMBL4249119 0.78 MAOB (0.45) KDM1AMAOB

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 9 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

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 KDM1A 2220/4885MAOB 3474/4885LIPE 3496/4885

“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.