SCHEMBL774620

SCHEMBL774620

O=C(Nc1ccc(F)nc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 12/20 0.59
KCNQ2 O43526 12/20 0.59
KCNE1 P15382 9/20 0.54
KCNQ1 P51787 9/20 0.54
ABL1 P00519 4/20 0.51
KCNQ5 Q9NR82 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BACE1 P56817 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
AXL P30530 1/20 0.47

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
SCHEMBL774698 0.88 KCNQ3 (0.77) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL774990 0.86 KCNQ3 (0.59) KCNQ3KCNQ2KCNE1KCNQ1ABL1
SCHEMBL16554434 0.86 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1ABL1
SCHEMBL775201 0.85 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1ABL1
SCHEMBL777653 0.84 MEN1 (0.64) KCNQ3KCNQ2ABL1KDM4EMEN1
SCHEMBL776898 0.84 KCNQ3 (0.56) KCNQ3KCNQ2KCNE1KCNQ1ABL1
SCHEMBL3203522 0.81 NAMPT (0.72) ABL1KDM4ELMNAMAPT
SCHEMBL775158 0.81 ABL1 (0.61) KCNQ3KCNQ2KCNE1KCNQ1ABL1
SCHEMBL774074 0.81 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1ABL1
SCHEMBL775028 0.80 MEN1 (0.54) KCNQ3KCNQ2KCNE1KCNQ1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 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 (3 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 KCNQ3 4350/4885KCNQ2 4479/4885KCNE1 4695/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 KCNQ3 4350/4885KCNQ2 4479/4885KCNE1 4695/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 KCNQ3 4027/4885KCNQ2 4317/4885KCNE1 4666/4885

“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.