SCHEMBL5338598

SCHEMBL5338598

O=C(Nc1cnc(Cl)nc1)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 1.00
KCNQ2 O43526 5/20 1.00
KCNQ5 Q9NR82 4/20 1.00
KCNE1 P15382 3/20 1.00
KCNQ1 P51787 3/20 1.00
P2RX1 P51575 1/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.63
KCNK3 O14649 2/20 0.63
JUN P05412 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
BTK Q06187 3/20 0.61
PTGS1 P23219 3/20 0.61
MAPK14 Q16539 2/20 0.61
JAK2 O60674 1/20 0.61
CSF1R P07333 1/20 0.61
PDGFRB P09619 1/20 0.61
FGFR1 P11362 1/20 0.61

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
SCHEMBL5213061 0.87 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516640 0.84 KCNQ3 (0.74) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL4722613 0.84 KCNQ3 (0.73) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL24274710 0.84 KCNQ3 (0.72) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5131380 0.82 RHOC (0.80) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5346150 0.82 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL39874 0.82 KCNQ3 (0.70) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5345894 0.81 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL4286068 0.81 MAPT (0.94) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL2494570 0.81 CSF1R (0.81) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1

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-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed
EP-1483259-A4 PYRIMIDINES AS NOVEL OPENERS OF POTASSIUM ION CHANNELS ICAGEN INC (US) 2005-12-14 EP disclosed
EP-1483259-A1 PYRIMIDINES AS NOVEL OPENERS OF POTASSIUM ION CHANNELS Icagen, Inc. (US) 2004-12-08 EP disclosed
US-20030181465-A1 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. 2003-09-25 US disclosed
WO-2003068767-A1 PYRIMIDINES AS NOVEL OPENERS OF POTASSIUM ION CHANNELS ICAGEN, INC. (US) 2003-08-21 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-20030181465-A1 Pyrimidines as novel openers of potassium ion channels KCNJ1, KCNJ2, KCNJ11 KCNQ3 22/4885KCNQ2 12/4885KCNQ5 21/4885

“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.