SCHEMBL7092768

SCHEMBL7092768

Nc1c(Nc2cncc(C(F)(F)F)c2)c(=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.47
BACE2 Q9Y5Z0 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
SLC22A11 Q9NSA0 1/20 0.41
KIF11 P52732 1/20 0.38
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
CLK2 P49760 1/20 0.38

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
SCHEMBL17427531 0.82 RAPGEF4 (0.51) CHEK1DAPK3ROCK2RPS6KA5CHEK2
SCHEMBL17427534 0.77 HDAC1 (0.46) KIF11CHEK1DAPK3ROCK2RPS6KA5
SCHEMBL7090620 0.76 POLB (0.47) TAS2R14BACE2CYP3A4CYP2C9SLC22A6
SCHEMBL24477521 0.75 RAPGEF4 (0.57) TAS2R14CYP3A4RAPGEF4XPO1
SCHEMBL10690353 0.72 CYP3A4 (0.45) TAS2R14BACE2CYP3A4CYP2C9SLC22A6
SCHEMBL7559307 0.71 BACE2 (0.42) BACE2CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL7092619 0.71 IDO1 (0.32)
SCHEMBL23933954 0.70 RAPGEF4 (0.58) CHEK1DAPK3ROCK2RPS6KA5CHEK2
SCHEMBL17486195 0.70 TAS2R14 (0.45) TAS2R14BACE2CYP3A4CYP2C9SLC22A6
SCHEMBL568548 0.69 TSHR (0.46) TAS2R14CYP3A4CYP2C9SLC22A6SLC22A8

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 TAS2R14 2840/4885BACE2 3653/4885CYP3A4 1236/4885

“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.