SCHEMBL7559307

SCHEMBL7559307

Nc1c(Nc2ccc(C(F)(F)F)nc2)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 1/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 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
EPHX2 P34913 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
TRPV1 Q8NER1 4/20 0.37
DGAT1 O75907 2/20 0.36
APP P05067 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HDAC4 P56524 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL7086069 0.80 KCNQ3 (0.37) JAK2JAK1
SCHEMBL7556816 0.78 PTPN1 (0.40) BACE2CDK5CDK5R1ABL1BCR
SCHEMBL17427534 0.76 HDAC1 (0.46) ABL1EPHX2HDAC4
SCHEMBL18028562 0.73 IDO1 (0.44)
SCHEMBL31148778 0.71 TRPV4 (0.52) BACE2CDK5CDK5R1ABL1BCR
SCHEMBL2216854 0.71 TRPV4 (0.52) BACE2CDK5CDK5R1ABL1BCR
SCHEMBL7092768 0.71 TAS2R14 (0.47) BACE2ABL1CYP2C9SLC22A6SLC22A8
SCHEMBL17396429 0.70 ABL1 (0.50) ABL1BCRCYP2C9SLC22A6SLC22A8
SCHEMBL22212784 0.70 CYP2C9 (0.50) CDK5CDK5R1ABL1BCRCYP2C9
SCHEMBL7092619 0.70 IDO1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BACE2 3653/4885CDK5 4765/4885CDK5R1 4140/4885

“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.