SCHEMBL7090620

SCHEMBL7090620

CCOc1c(Nc2cncc(C(F)(F)F)c2)c(=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.44
GAA P10253 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL24127368 0.81 POLB (0.65) POLBMAPTGAACYP2C9CHEK1
SCHEMBL7571748 0.81 POLB (0.51) POLBMAPTGAACHEK1DAPK3
SCHEMBL8995732 0.80 POLB (0.50) POLBMAPTGAACYP3A4CYP1A2
SCHEMBL7092768 0.76 TAS2R14 (0.47) TAS2R14CYP2C9CYP3A4SLC22A6SLC22A8
SCHEMBL7086890 0.75 POLB (0.48) POLBMAPTGAA
SCHEMBL30020570 0.73 POLB (0.39) POLBMAPTGAATDP1EGFR
SCHEMBL4023982 0.73 POLB (0.55) POLBMAPTGAAMAPK1RAB9A
SCHEMBL4023021 0.72 POLB (0.64) POLBMAPTGAACYP2C9CYP3A4
SCHEMBL8369789 0.71 CYP1A2 (0.50) POLBMAPTGAACYP2C9CYP3A4
SCHEMBL22092711 0.71 POLB (0.55) POLBMAPTGAA

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 POLB 2992/4885MAPT 3949/4885GAA 2105/4885

“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.