SCHEMBL2853327

SCHEMBL2853327

O=CNc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.75
MAPT P10636 1/20 0.72
LMNA P02545 1/20 0.70
KCNK9 Q9NPC2 1/20 0.70
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PTGS1 P23219 2/20 0.67
HTT P42858 1/20 0.67
RAB9A P51151 1/20 0.67
P2RX1 P51575 1/20 0.66
RXFP1 Q9HBX9 3/20 0.62
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
KCNE1 P15382 2/20 0.57
KCNQ1 P51787 2/20 0.57
TSHR P16473 1/20 0.57
KCNQ5 Q9NR82 1/20 0.57
POLB P06746 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
RHOC P08134 1/20 0.56

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
SCHEMBL4286068 0.87 MAPT (0.94) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL2853215 0.83 KCNK3 (0.79) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL22065212 0.83 PTGS1 (0.80) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL4517587 0.83 LMNA (1.00) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL30739929 0.83 LMNA (1.00) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL2860185 0.82 BRAF (0.60) KCNK3KCNK9
SCHEMBL2859341 0.82 MEN1 (0.78) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL15094033 0.82 MAPT (0.78) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL4656855 0.82 MAPT (0.78) KCNK3MAPTLMNAKCNK9MEN1
SCHEMBL2494871 0.82 KCNK3 (0.81) KCNK3MAPTLMNAKCNK9MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KCNK3 4111/4885MAPT 4439/4885LMNA 4482/4885

“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.